3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole

C17H21ClN2O — CID 64784762

IUPAC3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole
SMILESClCc1ccccc1OCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H21ClN2O/c18-12-14-6-4-5-9-17(14)21-13-15-10-11-20(19-15)16-7-2-1-3-8-16/h4-6,9-11,16H,1-3,7-8,12-13H2
InChIKeyFMIDDJPCBWJXND-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.71
Rot. Bonds5

About 3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole

3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole (PubChem CID 64784762) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole.

Molecular Properties

Compound Name3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole
PubChem CID64784762
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole
SMILESClCc1ccccc1OCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H21ClN2O/c18-12-14-6-4-5-9-17(14)21-13-15-10-11-20(19-15)16-7-2-1-3-8-16/h4-6,9-11,16H,1-3,7-8,12-13H2
InChIKeyFMIDDJPCBWJXND-UHFFFAOYSA-N
XLogP4.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[2-(chloromethyl)phenoxy]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-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole
CID 64779347
2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
CID 80963175
[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine
CID 64800598
3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole
CID 64801690
3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole
CID 64779344
[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanol
CID 64785535
3-[[2-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772203
3-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-cyclopentylpyrazole
CID 64785349
[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801737
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile
CID 167879327
[3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800020

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole?
The IUPAC name of 3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole (CID 64784762) is 3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole.
What is the SMILES notation for 3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole?
The canonical SMILES for 3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole is ClCc1ccccc1OCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole?
The InChIKey is FMIDDJPCBWJXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-12-14-6-4-5-9-17(14)21-13-15-10-11-20(19-15)16-7-2-1-3-8-16/h4-6,9-11,16H,1-3,7-8,12-13H2.
What are the key properties of 3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole?
3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole has a molecular weight of 304.82 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole is sourced from PubChem (CID 64784762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).