1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C15H22N4O3 — CID 122090384

IUPAC1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C1CC1)n1nccc1NC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H22N4O3/c1-10(11-3-4-11)19-12(5-7-16-19)17-14(22)18-8-6-15(2,9-18)13(20)21/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyNLVPXXNWIPYEAC-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.18
Rot. Bonds4

About 1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122090384) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122090384
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C1CC1)n1nccc1NC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H22N4O3/c1-10(11-3-4-11)19-12(5-7-16-19)17-14(22)18-8-6-15(2,9-18)13(20)21/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyNLVPXXNWIPYEAC-UHFFFAOYSA-N
XLogP2.18
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-7,7-dimethyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 128702374
1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090412
4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
CID 119034514
1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090400
1-[[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090578
1-[(3-bromo-4-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088443
1-[[cyclopropyl(pyridin-3-yl)methyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122008111
2-(1-cyclopropylethyl)pyrazole-3-carboxylic acid
CID 164806432
3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
CID 122090385
3-methyl-1-[(4-pyrazol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075319
1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122094283
3-methyl-1-[(2-methylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 107642319

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122090384) is 1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC(C1CC1)n1nccc1NC(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NLVPXXNWIPYEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(11-3-4-11)19-12(5-7-16-19)17-14(22)18-8-6-15(2,9-18)13(20)21/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of 1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 306.37 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-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122090384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).