3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 63784341

IUPAC3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(Cn1cccn1)NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C14H21N3O3/c1-10(9-17-7-3-6-15-17)16-13(18)11-4-2-5-12(8-11)14(19)20/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyBCFJUAHBZWTZSV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.28
Rot. Bonds5

About 3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63784341) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63784341
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(Cn1cccn1)NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C14H21N3O3/c1-10(9-17-7-3-6-15-17)16-13(18)11-4-2-5-12(8-11)14(19)20/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyBCFJUAHBZWTZSV-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 64824492
4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511550
3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782980
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 79388175
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842
1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61460902
3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119734117
3-(octan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784683
(2R)-5-oxo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 94820968
N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119958433
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63784341) is 3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is CC(Cn1cccn1)NC(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is BCFJUAHBZWTZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(9-17-7-3-6-15-17)16-13(18)11-4-2-5-12(8-11)14(19)20/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).