4023-02-3 1H-Pyrazole-1-carboximidamide hydrochloride

Introduction

CAS No. :	4023-02-3	MDL No. :	MFCD00210087
Formula :	C4H7ClN4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RBZRMBCLZMEYEH-UHFFFAOYSA-N
M.W :	146.58	Pubchem ID :	2734672
Synonyms :	1H-Pyrazole-1-carboximidamide hydrochloride	Chemical Name :	1H-Pyrazole-1-carboximidamide hydrochloride

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	36.75
TPSA :	67.69 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.89 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.43
Log Po/w (WLOGP) :	0.43
Log Po/w (MLOGP) :	0.01
Log Po/w (SILICOS-IT) :	-0.72
Consensus Log Po/w :	0.03

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.36
Solubility :	6.33 mg/ml ; 0.0432 mol/l
Class :	Very soluble
Log S (Ali) :	-1.42
Solubility :	5.59 mg/ml ; 0.0381 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.08
Solubility :	122.0 mg/ml ; 0.83 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.74

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine