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

C12H18N4O3 — CID 63149532

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-7-9(8(2)15-14-7)13-11(19)16-5-4-12(3,6-16)10(17)18/h4-6H2,1-3H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyZNHZFDHQURWZAV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.36
Rot. Bonds2

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

1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63149532) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63149532
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-7-9(8(2)15-14-7)13-11(19)16-5-4-12(3,6-16)10(17)18/h4-6H2,1-3H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyZNHZFDHQURWZAV-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123584
3-methyl-1-[(2,4,6-trichlorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145650
1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145953
3-methyl-1-[(4-methyl-2-methylsulfonylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122095076
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid
CID 63123861
3-methyl-1-[(2-phenylpyrimidin-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076984
1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090412
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149175
1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321245
3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086847
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
1-[[2-(difluoromethoxy)-6-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079282

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63149532) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is Cc1n[nH]c(C)c1NC(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ZNHZFDHQURWZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-9(8(2)15-14-7)13-11(19)16-5-4-12(3,6-16)10(17)18/h4-6H2,1-3H3,(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-3-carboxylic acid?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.36, 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-3-carboxylic acid is sourced from PubChem (CID 63149532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).