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

C19H17ClN4O — CID 121442894

IUPACN-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C19H17ClN4O/c20-14-6-8-15(9-7-14)21-19(25)24-11-10-17-16(12-24)18(23-22-17)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,21,25)(H,22,23)
InChIKeyBXVVORDGDUNSPV-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.32
Rot. Bonds2

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

N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121442894) has the molecular formula C19H17ClN4O and a molecular weight of 352.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121442894
Molecular FormulaC19H17ClN4O
Molecular Weight352.82 g/mol
Exact Mass352.11
IUPAC NameN-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C19H17ClN4O/c20-14-6-8-15(9-7-14)21-19(25)24-11-10-17-16(12-24)18(23-22-17)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,21,25)(H,22,23)
InChIKeyBXVVORDGDUNSPV-UHFFFAOYSA-N
XLogP4.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
N-(3-chlorophenyl)-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442798
(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
3-phenyl-N-(1,2-thiazol-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442719
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone
CID 108725948
1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-4-phenoxybutan-1-one
CID 108750234
1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone
CID 108726086
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108750131
3-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 108725988
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2,6-dimethoxyphenyl)methanone
CID 108750140
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007
2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione
CID 108750167

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121442894) is N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is BXVVORDGDUNSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-14-6-8-15(9-7-14)21-19(25)24-11-10-17-16(12-24)18(23-22-17)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,21,25)(H,22,23).
What are the key properties of N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121442894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).