[5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol

C14H15ClFN3O — CID 77083013

IUPAC[5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESOCc1n[nH]c2c1CN(Cc1ccc(F)cc1Cl)CC2
InChIInChI=1S/C14H15ClFN3O/c15-12-5-10(16)2-1-9(12)6-19-4-3-13-11(7-19)14(8-20)18-17-13/h1-2,5,20H,3-4,6-8H2,(H,17,18)
InChIKeyIDPLHYGSBCVGDU-UHFFFAOYSA-N
MW295.74 g/mol
LogP2.25
Rot. Bonds3

About [5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol

[5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 77083013) has the molecular formula C14H15ClFN3O and a molecular weight of 295.74 g/mol. Its IUPAC name is [5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID77083013
Molecular FormulaC14H15ClFN3O
Molecular Weight295.74 g/mol
Exact Mass295.09
IUPAC Name[5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESOCc1n[nH]c2c1CN(Cc1ccc(F)cc1Cl)CC2
InChIInChI=1S/C14H15ClFN3O/c15-12-5-10(16)2-1-9(12)6-19-4-3-13-11(7-19)14(8-20)18-17-13/h1-2,5,20H,3-4,6-8H2,(H,17,18)
InChIKeyIDPLHYGSBCVGDU-UHFFFAOYSA-N
XLogP2.25
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol (CID 77083013) is [5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol is OCc1n[nH]c2c1CN(Cc1ccc(F)cc1Cl)CC2.
What is the InChIKey of [5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is IDPLHYGSBCVGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c15-12-5-10(16)2-1-9(12)6-19-4-3-13-11(7-19)14(8-20)18-17-13/h1-2,5,20H,3-4,6-8H2,(H,17,18).
What are the key properties of [5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
[5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 295.74 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloro-4-fluorophenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 77083013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).