1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid

C23H22N4O5 — CID 70094223

IUPAC1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)N3CCCC3C(=O)Nc3ccccc3)c(C(=O)O)n2)cc1
InChIInChI=1S/C23H22N4O5/c1-32-17-11-9-16(10-12-17)27-14-18(20(25-27)23(30)31)22(29)26-13-5-8-19(26)21(28)24-15-6-3-2-4-7-15/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3,(H,24,28)(H,30,31)
InChIKeyQNYONRACKKVDTD-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.82
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid

1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid (PubChem CID 70094223) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid
PubChem CID70094223
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)N3CCCC3C(=O)Nc3ccccc3)c(C(=O)O)n2)cc1
InChIInChI=1S/C23H22N4O5/c1-32-17-11-9-16(10-12-17)27-14-18(20(25-27)23(30)31)22(29)26-13-5-8-19(26)21(28)24-15-6-3-2-4-7-15/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3,(H,24,28)(H,30,31)
InChIKeyQNYONRACKKVDTD-UHFFFAOYSA-N
XLogP2.82
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477
(2R)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 146500299
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55969264
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
N-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 55965328
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid (CID 70094223) is 1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid is COc1ccc(-n2cc(C(=O)N3CCCC3C(=O)Nc3ccccc3)c(C(=O)O)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid?
The InChIKey is QNYONRACKKVDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-32-17-11-9-16(10-12-17)27-14-18(20(25-27)23(30)31)22(29)26-13-5-8-19(26)21(28)24-15-6-3-2-4-7-15/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3,(H,24,28)(H,30,31).
What are the key properties of 1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid?
1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid has a molecular weight of 434.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 70094223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).