1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C17H20N4O3 — CID 122075426

IUPAC1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CCC(C(=O)O)C2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H20N4O3/c1-12-9-15(21(19-12)10-13-5-3-2-4-6-13)18-17(24)20-8-7-14(11-20)16(22)23/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,24)(H,22,23)
InChIKeyGZEAPDBIGSNKSO-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.18
Rot. Bonds4

About 1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122075426) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122075426
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CCC(C(=O)O)C2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H20N4O3/c1-12-9-15(21(19-12)10-13-5-3-2-4-6-13)18-17(24)20-8-7-14(11-20)16(22)23/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,24)(H,22,23)
InChIKeyGZEAPDBIGSNKSO-UHFFFAOYSA-N
XLogP2.18
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-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

1-[(1-benzyl-3-tert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122075393
(3S,4S)-N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dihydroxypiperidine-1-carboxamide
CID 118791693
N-(2-benzyl-5-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55580302
1-[(1-methyl-3-phenylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122088712
3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119704830
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553281
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118769035
4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 111859405
3-(aminomethyl)-N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]pyrrolidine-1-carboxamide
CID 118787317
1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086570
3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride
CID 154903028
1-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089042

Frequently Asked Questions

What is the IUPAC name of 1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122075426) is 1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is Cc1cc(NC(=O)N2CCC(C(=O)O)C2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GZEAPDBIGSNKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-9-15(21(19-12)10-13-5-3-2-4-6-13)18-17(24)20-8-7-14(11-20)16(22)23/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,24)(H,22,23).
What are the key properties of 1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122075426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).