3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole

C15H23ClN2 — CID 66035324

IUPAC3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
SMILESClCC1(Cc2ccn(C3CCCCC3)n2)CCC1
InChIInChI=1S/C15H23ClN2/c16-12-15(8-4-9-15)11-13-7-10-18(17-13)14-5-2-1-3-6-14/h7,10,14H,1-6,8-9,11-12H2
InChIKeyVYRXBXWMYYJZOE-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.34
Rot. Bonds4

About 3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole

3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole (PubChem CID 66035324) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole.

Molecular Properties

Compound Name3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
PubChem CID66035324
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
SMILESClCC1(Cc2ccn(C3CCCCC3)n2)CCC1
InChIInChI=1S/C15H23ClN2/c16-12-15(8-4-9-15)11-13-7-10-18(17-13)14-5-2-1-3-6-14/h7,10,14H,1-6,8-9,11-12H2
InChIKeyVYRXBXWMYYJZOE-UHFFFAOYSA-N
XLogP4.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[1-(chloromethyl)cyclobutyl]methyl]-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

Related Compounds

[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026217
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863268
3-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-cyclohexylpyrazole
CID 66050961
[3-[(1-cyclopentylpyrazol-3-yl)methyl]oxan-3-yl]methanol
CID 66057982
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79852504
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 64778892

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole?
The IUPAC name of 3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole (CID 66035324) is 3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole.
What is the SMILES notation for 3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole?
The canonical SMILES for 3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole is ClCC1(Cc2ccn(C3CCCCC3)n2)CCC1.
What is the InChIKey of 3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole?
The InChIKey is VYRXBXWMYYJZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c16-12-15(8-4-9-15)11-13-7-10-18(17-13)14-5-2-1-3-6-14/h7,10,14H,1-6,8-9,11-12H2.
What are the key properties of 3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole?
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole has a molecular weight of 266.82 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole is sourced from PubChem (CID 66035324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).