3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 63784343

IUPAC3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)NCCn2cccn2)C1
InChIInChI=1S/C13H19N3O3/c17-12(14-6-8-16-7-2-5-15-16)10-3-1-4-11(9-10)13(18)19/h2,5,7,10-11H,1,3-4,6,8-9H2,(H,14,17)(H,18,19)
InChIKeyHCHXWJIMLPEGQQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.89
Rot. Bonds5

About 3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63784343) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63784343
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)NCCn2cccn2)C1
InChIInChI=1S/C13H19N3O3/c17-12(14-6-8-16-7-2-5-15-16)10-3-1-4-11(9-10)13(18)19/h2,5,7,10-11H,1,3-4,6,8-9H2,(H,14,17)(H,18,19)
InChIKeyHCHXWJIMLPEGQQ-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

4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978578
cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784341
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide
CID 135105960
5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688336
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 95552335
3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106326768
N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide
CID 64562287
N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 61461180
(1S,3R,4R)-3-amino-4-methoxy-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
CID 155508081

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63784343) is 3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)NCCn2cccn2)C1.
What is the InChIKey of 3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is HCHXWJIMLPEGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12(14-6-8-16-7-2-5-15-16)10-3-1-4-11(9-10)13(18)19/h2,5,7,10-11H,1,3-4,6,8-9H2,(H,14,17)(H,18,19).
What are the key properties of 3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
3-(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 3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).