5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid

C19H20N4O4 — CID 119187118

IUPAC5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid
SMILESCC1CC1N1CC(NC(=O)c2cc(C(=O)O)nn2-c2ccccc2)CC1=O
InChIInChI=1S/C19H20N4O4/c1-11-7-15(11)22-10-12(8-17(22)24)20-18(25)16-9-14(19(26)27)21-23(16)13-5-3-2-4-6-13/h2-6,9,11-12,15H,7-8,10H2,1H3,(H,20,25)(H,26,27)
InChIKeySXWHBVSLSNLHPE-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.31
Rot. Bonds5

About 5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid

5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid (PubChem CID 119187118) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid
PubChem CID119187118
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid
SMILESCC1CC1N1CC(NC(=O)c2cc(C(=O)O)nn2-c2ccccc2)CC1=O
InChIInChI=1S/C19H20N4O4/c1-11-7-15(11)22-10-12(8-17(22)24)20-18(25)16-9-14(19(26)27)21-23(16)13-5-3-2-4-6-13/h2-6,9,11-12,15H,7-8,10H2,1H3,(H,20,25)(H,26,27)
InChIKeySXWHBVSLSNLHPE-UHFFFAOYSA-N
XLogP1.31
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid 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

5-[[(1R)-cyclohex-3-en-1-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid
CID 99849324
1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
CID 99847107
2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 125148297
2-(2-hydroxyphenyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]acetamide
CID 71989521
5-[[(1S,2R)-2-(3-methoxypyrrolidin-1-yl)cyclopentyl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid
CID 126839421
4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide
CID 125152934
3-bromo-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 96568822
2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide
CID 127750561
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
(2E,4E)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]hexa-2,4-dienamide
CID 129449704
N-(4-hydroxycyclohexyl)-1,3-diphenylpyrazole-5-carboxamide
CID 9324133
5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218445

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid (CID 119187118) is 5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid is CC1CC1N1CC(NC(=O)c2cc(C(=O)O)nn2-c2ccccc2)CC1=O.
What is the InChIKey of 5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is SXWHBVSLSNLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11-7-15(11)22-10-12(8-17(22)24)20-18(25)16-9-14(19(26)27)21-23(16)13-5-3-2-4-6-13/h2-6,9,11-12,15H,7-8,10H2,1H3,(H,20,25)(H,26,27).
What are the key properties of 5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid?
5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 119187118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).