(4-(1H-Pyrazol-1-yl)phenyl)methanamine hydrochloride

Cat. No.: PI1107632132

Product Details Other Identifiers Computed Properties

CAS	1107632-13-2
Purity	97%
Molecular Formula	C10H12ClN3
Molecular Weight	209.68
Molar Refractivity	58.2

Pubchem ID	45286068
InChI Key	QDHICIZBURXCIN-UHFFFAOYSA-N
MDL Number	MFCD11505500

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	2
Topological Polar Surface Area	43.84 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	11
Fraction Csp3	0.1
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	1.86
Log Po/w (WLOGP)	1.98
Log Po/w (MLOGP)	1.45
Log Po/w (SILICOS-IT)	1.12
Consensus Log Po/w	1.28
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.26 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.36

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