2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 114158369

IUPAC2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCCCC1C(=O)O)c1cn[nH]c1
InChIInChI=1S/C13H19N3O3/c1-8(9-6-14-15-7-9)16-12(17)10-4-2-3-5-11(10)13(18)19/h6-8,10-11H,2-5H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyOORYNTHACYKOOT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.48
Rot. Bonds4

About 2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 114158369) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID114158369
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCCCC1C(=O)O)c1cn[nH]c1
InChIInChI=1S/C13H19N3O3/c1-8(9-6-14-15-7-9)16-12(17)10-4-2-3-5-11(10)13(18)19/h6-8,10-11H,2-5H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyOORYNTHACYKOOT-UHFFFAOYSA-N
XLogP1.48
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106215558
4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092665
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 106212913
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
(2R,3S)-3-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106208636
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977968
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 103856925
1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 114159335
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 106212734
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106212683

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 114158369) is 2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CC(NC(=O)C1CCCCC1C(=O)O)c1cn[nH]c1.
What is the InChIKey of 2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is OORYNTHACYKOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(9-6-14-15-7-9)16-12(17)10-4-2-3-5-11(10)13(18)19/h6-8,10-11H,2-5H2,1H3,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114158369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).