1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid

C17H20N4O3 — CID 122088889

IUPAC1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(-n2nc(NC(=O)N3CCC(C(=O)O)C3)cc2C)cc1
InChIInChI=1S/C17H20N4O3/c1-11-3-5-14(6-4-11)21-12(2)9-15(19-21)18-17(24)20-8-7-13(10-20)16(22)23/h3-6,9,13H,7-8,10H2,1-2H3,(H,22,23)(H,18,19,24)
InChIKeyXGIMPUCVAGUJPM-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.43
Rot. Bonds3

About 1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122088889) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122088889
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(-n2nc(NC(=O)N3CCC(C(=O)O)C3)cc2C)cc1
InChIInChI=1S/C17H20N4O3/c1-11-3-5-14(6-4-11)21-12(2)9-15(19-21)18-17(24)20-8-7-13(10-20)16(22)23/h3-6,9,13H,7-8,10H2,1-2H3,(H,22,23)(H,18,19,24)
InChIKeyXGIMPUCVAGUJPM-UHFFFAOYSA-N
XLogP2.43
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089042
1-[[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102762
1-[(2-bromo-5-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82766636
N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide
CID 166197585
1-[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120533881
1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122084884
1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 126778339
1-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087409
1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089896
1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103163
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650
1-[(3-iodo-5-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122093344

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122088889) is 1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid is Cc1ccc(-n2nc(NC(=O)N3CCC(C(=O)O)C3)cc2C)cc1.
What is the InChIKey of 1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XGIMPUCVAGUJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-3-5-14(6-4-11)21-12(2)9-15(19-21)18-17(24)20-8-7-13(10-20)16(22)23/h3-6,9,13H,7-8,10H2,1-2H3,(H,22,23)(H,18,19,24).
What are the key properties of 1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122088889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).