3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide

C19H13ClN4O — CID 46404499

IUPAC3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C19H13ClN4O/c20-13-5-1-4-12(10-13)17-11-18(24-23-17)19(25)22-16-8-2-7-15-14(16)6-3-9-21-15/h1-11H,(H,22,25)(H,23,24)
InChIKeyIEESPSWCXKARGL-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.53
Rot. Bonds3

About 3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide

3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide (PubChem CID 46404499) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide
PubChem CID46404499
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C19H13ClN4O/c20-13-5-1-4-12(10-13)17-11-18(24-23-17)19(25)22-16-8-2-7-15-14(16)6-3-9-21-15/h1-11H,(H,22,25)(H,23,24)
InChIKeyIEESPSWCXKARGL-UHFFFAOYSA-N
XLogP4.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
N-quinolin-5-yl-1H-pyrazole-5-carboxamide
CID 47177311
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150
6-amino-5-chloro-N-quinolin-5-ylpyridine-3-carboxamide
CID 62151637
3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 46920141
N-(3-hydroxy-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 18109569
N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 55624453
2-chloro-N-quinolin-5-ylfuran-3-carboxamide
CID 106685203

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide (CID 46404499) is 3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide is O=C(Nc1cccc2ncccc12)c1cc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide?
The InChIKey is IEESPSWCXKARGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-13-5-1-4-12(10-13)17-11-18(24-23-17)19(25)22-16-8-2-7-15-14(16)6-3-9-21-15/h1-11H,(H,22,25)(H,23,24).
What are the key properties of 3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide?
3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46404499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).