2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid

C12H17N3O3 — CID 104617433

IUPAC2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCc1cn[nH]c1NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-2-7-6-13-15-10(7)14-11(16)8-4-3-5-9(8)12(17)18/h6,8-9H,2-5H2,1H3,(H,17,18)(H2,13,14,15,16)
InChIKeyAVNMVRGIPHCKPF-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.41
Rot. Bonds4

About 2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 104617433) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID104617433
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCc1cn[nH]c1NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-2-7-6-13-15-10(7)14-11(16)8-4-3-5-9(8)12(17)18/h6,8-9H,2-5H2,1H3,(H,17,18)(H2,13,14,15,16)
InChIKeyAVNMVRGIPHCKPF-UHFFFAOYSA-N
XLogP1.41
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 104619250
2-cyclobutyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 103750288
(2R)-N-(4-ethyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 103852363
N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide
CID 115692476
N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide
CID 115680700
N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 104619200
1-(2,2-dimethylpropanoyl)-N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 104620312
2-(1H-indazol-7-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978246
methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343401
cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
N-(4-ethyl-1H-pyrazol-5-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 104619153
N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide
CID 106827945

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 104617433) is 2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid is CCc1cn[nH]c1NC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is AVNMVRGIPHCKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-7-6-13-15-10(7)14-11(16)8-4-3-5-9(8)12(17)18/h6,8-9H,2-5H2,1H3,(H,17,18)(H2,13,14,15,16).
What are the key properties of 2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104617433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).