3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide

C24H26N4O2 — CID 24982065

IUPAC3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C24H26N4O2/c1-18-10-12-19(13-11-18)23-21(17-28(26-23)20-7-3-2-4-8-20)24(30)25-14-6-16-27-15-5-9-22(27)29/h2-4,7-8,10-13,17H,5-6,9,14-16H2,1H3,(H,25,30)
InChIKeyKRKBCYMUZIYRRU-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.59
Rot. Bonds7

About 3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide

3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 24982065) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
PubChem CID24982065
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C24H26N4O2/c1-18-10-12-19(13-11-18)23-21(17-28(26-23)20-7-3-2-4-8-20)24(30)25-14-6-16-27-15-5-9-22(27)29/h2-4,7-8,10-13,17H,5-6,9,14-16H2,1H3,(H,25,30)
InChIKeyKRKBCYMUZIYRRU-UHFFFAOYSA-N
XLogP3.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 2827797
N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 55976787
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 60515331
1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide
CID 53147827
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide
CID 108790708
3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 18205735
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 42283291
1-(4-methylphenyl)-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119534696

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide (CID 24982065) is 3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is KRKBCYMUZIYRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-18-10-12-19(13-11-18)23-21(17-28(26-23)20-7-3-2-4-8-20)24(30)25-14-6-16-27-15-5-9-22(27)29/h2-4,7-8,10-13,17H,5-6,9,14-16H2,1H3,(H,25,30).
What are the key properties of 3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide?
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24982065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).