4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide

C14H11ClN4O — CID 86848828

IUPAC4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H11ClN4O/c15-10-6-13(16-7-10)14(20)18-11-8-17-19(9-11)12-4-2-1-3-5-12/h1-9,16H,(H,18,20)
InChIKeyGSEZTKLNWBFLQG-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.11
Rot. Bonds3

About 4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide

4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 86848828) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID86848828
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H11ClN4O/c15-10-6-13(16-7-10)14(20)18-11-8-17-19(9-11)12-4-2-1-3-5-12/h1-9,16H,(H,18,20)
InChIKeyGSEZTKLNWBFLQG-UHFFFAOYSA-N
XLogP3.11
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 110470884
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide
CID 71884776
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
5-bromo-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 99816223
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 135689125
1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
CID 43429648
2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide
CID 17088872
1-(2-methoxy-5-methylphenyl)-N-(1-phenylpyrazol-4-yl)pyrazole-3-carboxamide
CID 71936851
ethyl 1-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 86835010

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (CID 86848828) is 4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is O=C(Nc1cnn(-c2ccccc2)c1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is GSEZTKLNWBFLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-10-6-13(16-7-10)14(20)18-11-8-17-19(9-11)12-4-2-1-3-5-12/h1-9,16H,(H,18,20).
What are the key properties of 4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 86848828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).