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

C19H17ClFN3O — CID 129153084

IUPAC(2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol
SMILESOC(c1ccc(F)cc1Cl)N1CCc2c(-c3ccccc3)n[nH]c2C1
InChIInChI=1S/C19H17ClFN3O/c20-16-10-13(21)6-7-14(16)19(25)24-9-8-15-17(11-24)22-23-18(15)12-4-2-1-3-5-12/h1-7,10,19,25H,8-9,11H2,(H,22,23)
InChIKeyGHVQSKVHMSJASO-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.92
Rot. Bonds3

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

(2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol (PubChem CID 129153084) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol
PubChem CID129153084
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name(2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol
SMILESOC(c1ccc(F)cc1Cl)N1CCc2c(-c3ccccc3)n[nH]c2C1
InChIInChI=1S/C19H17ClFN3O/c20-16-10-13(21)6-7-14(16)19(25)24-9-8-15-17(11-24)22-23-18(15)12-4-2-1-3-5-12/h1-7,10,19,25H,8-9,11H2,(H,22,23)
InChIKeyGHVQSKVHMSJASO-UHFFFAOYSA-N
XLogP3.92
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol?
The IUPAC name of (2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol (CID 129153084) is (2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol is OC(c1ccc(F)cc1Cl)N1CCc2c(-c3ccccc3)n[nH]c2C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol?
The InChIKey is GHVQSKVHMSJASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-16-10-13(21)6-7-14(16)19(25)24-9-8-15-17(11-24)22-23-18(15)12-4-2-1-3-5-12/h1-7,10,19,25H,8-9,11H2,(H,22,23).
What are the key properties of (2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol?
(2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol has a molecular weight of 357.82 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanol is sourced from PubChem (CID 129153084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).