tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate

Name: tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate
SKU: PI877399503
Rating: 5 (1 reviews)

Cat. No.: PI877399503

Product Details Other Identifiers Computed Properties

CAS	877399-50-3
Purity	95%
Molecular Formula	C13H20BrN3O2
Molecular Weight	330.22
Molar Refractivity	80.86

Pubchem ID	45480278
InChI Key	IYNZAVDBHAQODX-UHFFFAOYSA-N
MDL Number	MFCD09831980

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	47.36 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	5
Fraction Csp3	0.69
Log Po/w (iLOGP)	3.17
Log Po/w (XLOGP3)	2.27
Log Po/w (WLOGP)	2.84
Log Po/w (MLOGP)	2.1
Log Po/w (SILICOS-IT)	1.37
Consensus Log Po/w	2.35
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.7 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	0.0
Synthetic Accessibility	2.57

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