4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 63784513

IUPAC4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCn2cccn2)CC1
InChIInChI=1S/C13H19N3O3/c17-12(14-7-9-16-8-1-6-15-16)10-2-4-11(5-3-10)13(18)19/h1,6,8,10-11H,2-5,7,9H2,(H,14,17)(H,18,19)
InChIKeyBGGCRXYQXCGXLV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.89
Rot. Bonds5

About 4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63784513) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63784513
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCn2cccn2)CC1
InChIInChI=1S/C13H19N3O3/c17-12(14-7-9-16-8-1-6-15-16)10-2-4-11(5-3-10)13(18)19/h1,6,8,10-11H,2-5,7,9H2,(H,14,17)(H,18,19)
InChIKeyBGGCRXYQXCGXLV-UHFFFAOYSA-N
XLogP0.89
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491
2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978578
5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688336
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide
CID 135105960
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111904643
1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid
CID 103247153
1-(2-pyrazol-1-ylethylsulfamoyl)piperidine-4-carboxylic acid
CID 61462648
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 95552335
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide
CID 64562287

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63784513) is 4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCn2cccn2)CC1.
What is the InChIKey of 4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is BGGCRXYQXCGXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12(14-7-9-16-8-1-6-15-16)10-2-4-11(5-3-10)13(18)19/h1,6,8,10-11H,2-5,7,9H2,(H,14,17)(H,18,19).
What are the key properties of 4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).