N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

C31H29N7O5 — CID 91350769

IUPACN-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]n(-c2ccccc2)c(=O)c1C=C=C(C=Cc1c(C(=O)NC)[nH]n(-c2ccccc2)c1=O)N1CCCC1=O
InChIInChI=1S/C31H29N7O5/c1-32-28(40)26-23(30(42)37(34-26)21-10-5-3-6-11-21)17-15-20(36-19-9-14-25(36)39)16-18-24-27(29(41)33-2)35-38(31(24)43)22-12-7-4-8-13-22/h3-8,10-13,15,17-18,34-35H,9,14,19H2,1-2H3,(H,32,40)(H,33,41)
InChIKeyZRHJWRFQVFJQGK-UHFFFAOYSA-N
MW579.62 g/mol
LogP2.20
Rot. Bonds8

About N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 91350769) has the molecular formula C31H29N7O5 and a molecular weight of 579.62 g/mol. Its IUPAC name is N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
PubChem CID91350769
Molecular FormulaC31H29N7O5
Molecular Weight579.62 g/mol
Exact Mass579.22
IUPAC NameN-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]n(-c2ccccc2)c(=O)c1C=C=C(C=Cc1c(C(=O)NC)[nH]n(-c2ccccc2)c1=O)N1CCCC1=O
InChIInChI=1S/C31H29N7O5/c1-32-28(40)26-23(30(42)37(34-26)21-10-5-3-6-11-21)17-15-20(36-19-9-14-25(36)39)16-18-24-27(29(41)33-2)35-38(31(24)43)22-12-7-4-8-13-22/h3-8,10-13,15,17-18,34-35H,9,14,19H2,1-2H3,(H,32,40)(H,33,41)
InChIKeyZRHJWRFQVFJQGK-UHFFFAOYSA-N
XLogP2.20
TPSA154.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.62
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-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

4-[3-[1-(4-tert-butylphenyl)-3,4-dihydro-2H-quinolin-6-yl]propa-1,2-dienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid
CID 91114521
4-[3-[1-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-quinolin-6-yl]propa-1,2-dienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid
CID 91239070
4-[3-[1-[4-(dimethylamino)phenyl]-3,4-dihydro-2H-quinolin-6-yl]propa-1,2-dienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid
CID 91199309
3-oxo-2-phenyl-4-[3-[1-(4-propylphenyl)-2,3-dihydroindol-5-yl]propa-1,2-dienyl]-1H-pyrazole-5-carboxylic acid
CID 91065692
4-[3-[5,5-dimethyl-1-(4-methylphenyl)-3,4-dihydro-2H-1-benzazepin-7-yl]propa-1,2-dienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid
CID 90958610
methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate
CID 139041263
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
tert-butyl 3-oxo-2-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[3,4-d]azepine-6-carboxylate
CID 67269055
1-(2-fluorobenzoyl)pyrrolidin-2-one
CID 770090
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 72946801
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (CID 91350769) is N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is CNC(=O)c1[nH]n(-c2ccccc2)c(=O)c1C=C=C(C=Cc1c(C(=O)NC)[nH]n(-c2ccccc2)c1=O)N1CCCC1=O.
What is the InChIKey of N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZRHJWRFQVFJQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7O5/c1-32-28(40)26-23(30(42)37(34-26)21-10-5-3-6-11-21)17-15-20(36-19-9-14-25(36)39)16-18-24-27(29(41)33-2)35-38(31(24)43)22-12-7-4-8-13-22/h3-8,10-13,15,17-18,34-35H,9,14,19H2,1-2H3,(H,32,40)(H,33,41).
What are the key properties of N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 579.62 g/mol, XLogP of 2.20, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[5-(methylcarbamoyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)penta-1,3,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91350769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).