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

C13H19N3O3 — CID 114159493

IUPAC4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)CC1)c1cn[nH]c1
InChIInChI=1S/C13H19N3O3/c1-8(11-6-14-15-7-11)16-12(17)9-2-4-10(5-3-9)13(18)19/h6-10H,2-5H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyVZUBVPPRKGRQLK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.48
Rot. Bonds4

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

4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 114159493) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID114159493
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)CC1)c1cn[nH]c1
InChIInChI=1S/C13H19N3O3/c1-8(11-6-14-15-7-11)16-12(17)9-2-4-10(5-3-9)13(18)19/h6-10H,2-5H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyVZUBVPPRKGRQLK-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

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
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993566
(2R,3S)-3-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106208636
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 106212913
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106212683
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106215558
4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672318
2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid
CID 113364523
4-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672658

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 114159493) is 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CC(NC(=O)C1CCC(C(=O)O)CC1)c1cn[nH]c1.
What is the InChIKey of 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is VZUBVPPRKGRQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(11-6-14-15-7-11)16-12(17)9-2-4-10(5-3-9)13(18)19/h6-10H,2-5H2,1H3,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[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 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114159493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).