1-cyclohexylpyrazole-4-carbonyl chloride

C10H13ClN2O — CID 83814222

IUPAC1-cyclohexylpyrazole-4-carbonyl chloride
SMILESO=C(Cl)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C10H13ClN2O/c11-10(14)8-6-12-13(7-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChIKeyJNFRIRZERPLQDG-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.77
Rot. Bonds2

About 1-cyclohexylpyrazole-4-carbonyl chloride

1-cyclohexylpyrazole-4-carbonyl chloride (PubChem CID 83814222) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-cyclohexylpyrazole-4-carbonyl chloride.

Molecular Properties

Compound Name1-cyclohexylpyrazole-4-carbonyl chloride
PubChem CID83814222
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-cyclohexylpyrazole-4-carbonyl chloride
SMILESO=C(Cl)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C10H13ClN2O/c11-10(14)8-6-12-13(7-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChIKeyJNFRIRZERPLQDG-UHFFFAOYSA-N
XLogP2.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 1-cyclohexylpyrazole-4-carbonyl chloride 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

1-cycloheptylpyrazol-4-ol
CID 116799473
1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one
CID 83878117
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide
CID 74766888
(2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 97069986
(2S)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 97069985
1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
CID 95804927
[1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 138024559
1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide
CID 166306826
1-cyclohexylpyrazol-4-amine;hydrochloride
CID 83814238
1-cyclohexyl-3-methylpyrazole-4-carbonyl chloride
CID 83814232
1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid
CID 84733356
1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid
CID 94560602

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrazole-4-carbonyl chloride?
The IUPAC name of 1-cyclohexylpyrazole-4-carbonyl chloride (CID 83814222) is 1-cyclohexylpyrazole-4-carbonyl chloride.
What is the SMILES notation for 1-cyclohexylpyrazole-4-carbonyl chloride?
The canonical SMILES for 1-cyclohexylpyrazole-4-carbonyl chloride is O=C(Cl)c1cnn(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexylpyrazole-4-carbonyl chloride?
The InChIKey is JNFRIRZERPLQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-10(14)8-6-12-13(7-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2.
What are the key properties of 1-cyclohexylpyrazole-4-carbonyl chloride?
1-cyclohexylpyrazole-4-carbonyl chloride has a molecular weight of 212.68 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrazole-4-carbonyl chloride is sourced from PubChem (CID 83814222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).