1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

C27H29N5O4 — CID 55631175

IUPAC1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESCc1c(NC(=O)c2cccc(NC(=O)C3CCCN3C(=O)C3CC3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H29N5O4/c1-17-23(27(36)32(30(17)2)21-10-4-3-5-11-21)29-24(33)19-8-6-9-20(16-19)28-25(34)22-12-7-15-31(22)26(35)18-13-14-18/h3-6,8-11,16,18,22H,7,12-15H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyLAAGEIIJSIOSSG-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.08
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 55631175) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID55631175
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESCc1c(NC(=O)c2cccc(NC(=O)C3CCCN3C(=O)C3CC3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H29N5O4/c1-17-23(27(36)32(30(17)2)21-10-4-3-5-11-21)29-24(33)19-8-6-9-20(16-19)28-25(34)22-12-7-15-31(22)26(35)18-13-14-18/h3-6,8-11,16,18,22H,7,12-15H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyLAAGEIIJSIOSSG-UHFFFAOYSA-N
XLogP3.08
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55882997
(2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 9466733
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46615919
tert-butyl N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]carbamate
CID 29197905
3-[(2-chlorophenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 4858127
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-ethylphenyl)carbamothioylamino]benzamide
CID 23737667
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzamide
CID 41324581
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
CID 55883256
4-(4-bromo-2-chlorophenyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 166345614
5-chloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-2-fluorobenzamide
CID 46615911
N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 55974288

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide (CID 55631175) is 1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide is Cc1c(NC(=O)c2cccc(NC(=O)C3CCCN3C(=O)C3CC3)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is LAAGEIIJSIOSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-17-23(27(36)32(30(17)2)21-10-4-3-5-11-21)29-24(33)19-8-6-9-20(16-19)28-25(34)22-12-7-15-31(22)26(35)18-13-14-18/h3-6,8-11,16,18,22H,7,12-15H2,1-2H3,(H,28,34)(H,29,33).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55631175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).