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

C12H18N4O3 — CID 102781836

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-6-4-5-16(10(6)11(17)18)12(19)13-9-7(2)14-15-8(9)3/h6,10H,4-5H2,1-3H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyMLXDVIJNSKNHED-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.35
Rot. Bonds2

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

1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102781836) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102781836
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-6-4-5-16(10(6)11(17)18)12(19)13-9-7(2)14-15-8(9)3/h6,10H,4-5H2,1-3H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyMLXDVIJNSKNHED-UHFFFAOYSA-N
XLogP1.35
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201123
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782049
3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782438
3-methyl-1-[(3,4,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782533
1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 107602132
1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031207
1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149532
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyloxolane-2-carboxamide
CID 81448276
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781967
1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102776316
1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781629
1-[(2-cyano-3-methylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 107799927

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102781836) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is Cc1n[nH]c(C)c1NC(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is MLXDVIJNSKNHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-6-4-5-16(10(6)11(17)18)12(19)13-9-7(2)14-15-8(9)3/h6,10H,4-5H2,1-3H3,(H,13,19)(H,14,15)(H,17,18).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.35, 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]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102781836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).