1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C11H16N4O3 — CID 61201123

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-6-9(7(2)14-13-6)12-11(18)15-5-3-4-8(15)10(16)17/h8H,3-5H2,1-2H3,(H,12,18)(H,13,14)(H,16,17)
InChIKeyJLDNVBFXEKKUCX-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.11
Rot. Bonds2

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61201123) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61201123
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-6-9(7(2)14-13-6)12-11(18)15-5-3-4-8(15)10(16)17/h8H,3-5H2,1-2H3,(H,12,18)(H,13,14)(H,16,17)
InChIKeyJLDNVBFXEKKUCX-UHFFFAOYSA-N
XLogP1.11
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-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-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781836
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781967
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355764
(2S)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104874322
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82906908
1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199274
(2R)-1-[(4-bromo-2,6-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922849
N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79776778
1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031207
1-[(2-methyl-3-pyridinyl)carbamoyl]azepane-2-carboxylic acid
CID 79043925

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61201123) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is Cc1n[nH]c(C)c1NC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JLDNVBFXEKKUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-6-9(7(2)14-13-6)12-11(18)15-5-3-4-8(15)10(16)17/h8H,3-5H2,1-2H3,(H,12,18)(H,13,14)(H,16,17).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61201123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).