1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

C23H23ClN4O3 — CID 86967980

IUPAC1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1C(=O)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C23H23ClN4O3/c1-15-9-10-21(31-2)18(12-15)26-22(29)20-8-5-11-27(20)23(30)16-13-25-28(14-16)19-7-4-3-6-17(19)24/h3-4,6-7,9-10,12-14,20H,5,8,11H2,1-2H3,(H,26,29)
InChIKeyVFQNFAIJHHKPOR-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.09
Rot. Bonds5

About 1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 86967980) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID86967980
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1C(=O)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C23H23ClN4O3/c1-15-9-10-21(31-2)18(12-15)26-22(29)20-8-5-11-27(20)23(30)16-13-25-28(14-16)19-7-4-3-6-17(19)24/h3-4,6-7,9-10,12-14,20H,5,8,11H2,1-2H3,(H,26,29)
InChIKeyVFQNFAIJHHKPOR-UHFFFAOYSA-N
XLogP4.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 86784862
N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 119327957
N-(2-methoxy-5-methylphenyl)-1-(5-methyl-2H-triazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 126791949
N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 78884267
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 47027021
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2559010
2-N-(2-methoxy-5-methylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814288
2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4317281
1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 133307057
1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 46756268
N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 154753041

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide (CID 86967980) is 1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide is COc1ccc(C)cc1NC(=O)C1CCCN1C(=O)c1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is VFQNFAIJHHKPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-15-9-10-21(31-2)18(12-15)26-22(29)20-8-5-11-27(20)23(30)16-13-25-28(14-16)19-7-4-3-6-17(19)24/h3-4,6-7,9-10,12-14,20H,5,8,11H2,1-2H3,(H,26,29).
What are the key properties of 1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 86967980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).