(6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C20H19ClN4O2 — CID 162660248

IUPAC(6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1Cc2c(-c3ccccc3)n[nH]c2C[C@@H]1CO
InChIInChI=1S/C20H19ClN4O2/c21-14-7-4-8-15(9-14)22-20(27)25-11-17-18(10-16(25)12-26)23-24-19(17)13-5-2-1-3-6-13/h1-9,16,26H,10-12H2,(H,22,27)(H,23,24)/t16-/m1/s1
InChIKeySNUACJZZPVEXJR-MRXNPFEDSA-N
MW382.85 g/mol
LogP3.68
Rot. Bonds3

About (6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

(6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 162660248) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is (6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID162660248
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name(6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1Cc2c(-c3ccccc3)n[nH]c2C[C@@H]1CO
InChIInChI=1S/C20H19ClN4O2/c21-14-7-4-8-15(9-14)22-20(27)25-11-17-18(10-16(25)12-26)23-24-19(17)13-5-2-1-3-6-13/h1-9,16,26H,10-12H2,(H,22,27)(H,23,24)/t16-/m1/s1
InChIKeySNUACJZZPVEXJR-MRXNPFEDSA-N
XLogP3.68
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442766
N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435042
N-(3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442731
N-(3-chlorophenyl)-6-methylidene-3-phenyl-4,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 162651622
(6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 162652597
(6R)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 162657385
N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 162659456
(6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 162672330
N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442894
N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442895
N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435467
N-(3-chlorophenyl)-3-phenyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-11-carboxamide
CID 162665531

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 162660248) is (6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for (6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1cccc(Cl)c1)N1Cc2c(-c3ccccc3)n[nH]c2C[C@@H]1CO.
What is the InChIKey of (6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is SNUACJZZPVEXJR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-14-7-4-8-15(9-14)22-20(27)25-11-17-18(10-16(25)12-26)23-24-19(17)13-5-2-1-3-6-13/h1-9,16,26H,10-12H2,(H,22,27)(H,23,24)/t16-/m1/s1.
What are the key properties of (6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
(6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162660248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).