6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide

C22H15Cl2N5O2 — CID 24828386

IUPAC6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1)c1ccc(Cl)nc1
InChIInChI=1S/C22H15Cl2N5O2/c23-15-7-9-16(10-8-15)27-22(31)18-13-26-29(17-4-2-1-3-5-17)20(18)28-21(30)14-6-11-19(24)25-12-14/h1-13H,(H,27,31)(H,28,30)
InChIKeyZGFWCLACBHZERW-UHFFFAOYSA-N
MW452.30 g/mol
LogP5.08
Rot. Bonds5

About 6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide

6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide (PubChem CID 24828386) has the molecular formula C22H15Cl2N5O2 and a molecular weight of 452.30 g/mol. Its IUPAC name is 6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide
PubChem CID24828386
Molecular FormulaC22H15Cl2N5O2
Molecular Weight452.30 g/mol
Exact Mass451.06
IUPAC Name6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1)c1ccc(Cl)nc1
InChIInChI=1S/C22H15Cl2N5O2/c23-15-7-9-16(10-8-15)27-22(31)18-13-26-29(17-4-2-1-3-5-17)20(18)28-21(30)14-6-11-19(24)25-12-14/h1-13H,(H,27,31)(H,28,30)
InChIKeyZGFWCLACBHZERW-UHFFFAOYSA-N
XLogP5.08
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.30
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2898102
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067674
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride
CID 146120934
5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109213
N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712
5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 73254444

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide (CID 24828386) is 6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide is O=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide?
The InChIKey is ZGFWCLACBHZERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N5O2/c23-15-7-9-16(10-8-15)27-22(31)18-13-26-29(17-4-2-1-3-5-17)20(18)28-21(30)14-6-11-19(24)25-12-14/h1-13H,(H,27,31)(H,28,30).
What are the key properties of 6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide?
6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide has a molecular weight of 452.30 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24828386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).