2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid

C12H17N3O3 — CID 103978578

IUPAC2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCCn1cccn1
InChIInChI=1S/C12H17N3O3/c16-11(9-3-1-4-10(9)12(17)18)13-6-8-15-7-2-5-14-15/h2,5,7,9-10H,1,3-4,6,8H2,(H,13,16)(H,17,18)
InChIKeyUCUYAFXMAYBYFW-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.50
Rot. Bonds5

About 2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid

2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103978578) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103978578
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCCn1cccn1
InChIInChI=1S/C12H17N3O3/c16-11(9-3-1-4-10(9)12(17)18)13-6-8-15-7-2-5-14-15/h2,5,7,9-10H,1,3-4,6,8H2,(H,13,16)(H,17,18)
InChIKeyUCUYAFXMAYBYFW-UHFFFAOYSA-N
XLogP0.50
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688336
cis-(1S,2R)-2-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 51699124
N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide
CID 64562287
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096262
2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid
CID 103263462
N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 61461180
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267502

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103978578) is 2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCCn1cccn1.
What is the InChIKey of 2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is UCUYAFXMAYBYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11(9-3-1-4-10(9)12(17)18)13-6-8-15-7-2-5-14-15/h2,5,7,9-10H,1,3-4,6,8H2,(H,13,16)(H,17,18).
What are the key properties of 2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).