Pyrazolo[1,5-a]pyrimidin-5(1H)-one

Introduction

CAS No. :	1027534-43-5	MDL No. :	MFCD27989151
Formula :	C6H5N3O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	LSLIYLLMLAQRIS-UHFFFAOYSA-N
M.W :	135.12	Pubchem ID :	135513288
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	35.81
TPSA :	50.16 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) :	-7.37 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.99
Log Po/w (XLOGP3) :	-0.35
Log Po/w (WLOGP) :	0.02
Log Po/w (MLOGP) :	0.44
Log Po/w (SILICOS-IT) :	0.66
Consensus Log Po/w :	0.35

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.12
Solubility :	10.2 mg/ml ; 0.0753 mol/l
Class :	Very soluble
Log S (Ali) :	-0.24
Solubility :	77.5 mg/ml ; 0.574 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.59
Solubility :	3.49 mg/ml ; 0.0258 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.83

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319	Packing Group:
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