5-(chloromethyl)-1-cyclohexylpyrazole

C10H15ClN2 — CID 138987728

IUPAC5-(chloromethyl)-1-cyclohexylpyrazole
SMILESClCc1ccnn1C1CCCCC1
InChIInChI=1S/C10H15ClN2/c11-8-10-6-7-12-13(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyDLLINTSIVLCUQZ-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.13
Rot. Bonds2

About 5-(chloromethyl)-1-cyclohexylpyrazole

5-(chloromethyl)-1-cyclohexylpyrazole (PubChem CID 138987728) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 5-(chloromethyl)-1-cyclohexylpyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-cyclohexylpyrazole
PubChem CID138987728
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name5-(chloromethyl)-1-cyclohexylpyrazole
SMILESClCc1ccnn1C1CCCCC1
InChIInChI=1S/C10H15ClN2/c11-8-10-6-7-12-13(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyDLLINTSIVLCUQZ-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-1-cyclohexylpyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-cyclohexylpyrazole?
The IUPAC name of 5-(chloromethyl)-1-cyclohexylpyrazole (CID 138987728) is 5-(chloromethyl)-1-cyclohexylpyrazole.
What is the SMILES notation for 5-(chloromethyl)-1-cyclohexylpyrazole?
The canonical SMILES for 5-(chloromethyl)-1-cyclohexylpyrazole is ClCc1ccnn1C1CCCCC1.
What is the InChIKey of 5-(chloromethyl)-1-cyclohexylpyrazole?
The InChIKey is DLLINTSIVLCUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c11-8-10-6-7-12-13(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 5-(chloromethyl)-1-cyclohexylpyrazole?
5-(chloromethyl)-1-cyclohexylpyrazole has a molecular weight of 198.70 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-cyclohexylpyrazole is sourced from PubChem (CID 138987728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).