4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide

C22H19ClN4O — CID 135523960

IUPAC4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)c1ccccc1
InChIInChI=1S/C22H19ClN4O/c1-14(15-6-3-2-4-7-15)26-22(28)20-11-17(12-24-20)21-19(13-25-27-21)16-8-5-9-18(23)10-16/h2-14,24H,1H3,(H,25,27)(H,26,28)/t14-/m0/s1
InChIKeyDRCOMKWKOTTZJP-AWEZNQCLSA-N
MW390.87 g/mol
LogP5.22
Rot. Bonds5

About 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide (PubChem CID 135523960) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide
PubChem CID135523960
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)c1ccccc1
InChIInChI=1S/C22H19ClN4O/c1-14(15-6-3-2-4-7-15)26-22(28)20-11-17(12-24-20)21-19(13-25-27-21)16-8-5-9-18(23)10-16/h2-14,24H,1H3,(H,25,27)(H,26,28)/t14-/m0/s1
InChIKeyDRCOMKWKOTTZJP-AWEZNQCLSA-N
XLogP5.22
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-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-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
(S)-N-(1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-YL)-1H-pyrrole-2-carboxamide
CID 135449326
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135523966
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10694660
US10022354, Example 69
CID 121279703
3-(1-ME-1H-Pyrrol-2-YL)-N'-(3-PH-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 6900541
(S)-5-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-3-carboxamide
CID 52919826
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135453331
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide
CID 135523935
4-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrol-2-yl}carbonyl)morpholine
CID 135523936

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide (CID 135523960) is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide is C[C@H](NC(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)c1ccccc1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DRCOMKWKOTTZJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-14(15-6-3-2-4-7-15)26-22(28)20-11-17(12-24-20)21-19(13-25-27-21)16-8-5-9-18(23)10-16/h2-14,24H,1H3,(H,25,27)(H,26,28)/t14-/m0/s1.
What are the key properties of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide?
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135523960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).