4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole

C11H10Cl2N2 — CID 105405924

IUPAC4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole
SMILESCc1ccc(CCl)cc1-n1cc(Cl)cn1
InChIInChI=1S/C11H10Cl2N2/c1-8-2-3-9(5-12)4-11(8)15-7-10(13)6-14-15/h2-4,6-7H,5H2,1H3
InChIKeyOJTZULSGXHDPCM-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.57
Rot. Bonds2

About 4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole

4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole (PubChem CID 105405924) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole
PubChem CID105405924
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole
SMILESCc1ccc(CCl)cc1-n1cc(Cl)cn1
InChIInChI=1S/C11H10Cl2N2/c1-8-2-3-9(5-12)4-11(8)15-7-10(13)6-14-15/h2-4,6-7H,5H2,1H3
InChIKeyOJTZULSGXHDPCM-UHFFFAOYSA-N
XLogP3.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole 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-[5-(chloromethyl)-2-methylphenyl]-4-phenylpyrazole
CID 105405941
1-[5-(chloromethyl)-2-methylphenyl]-1,2,4-triazole
CID 105405915
1-[2-chloro-4-(chloromethyl)phenyl]-4-methylpyrazole
CID 81152621
2-[4-(4-chloropyrazol-1-yl)-3-methylphenyl]ethanamine
CID 63815374
N-[[4-(4-chloropyrazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 55040510
5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine
CID 61255157
[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]methanol
CID 61035650
4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine
CID 105067554
2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine
CID 105410763
1-[5-(chloromethyl)-2-methylphenyl]piperidine
CID 118084107
N-[[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]methyl]ethanamine
CID 54909733
4-(chloromethyl)-2-(4-chloropyrazol-1-yl)-6-methylpyrimidine
CID 130485780

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole?
The IUPAC name of 4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole (CID 105405924) is 4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole.
What is the SMILES notation for 4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole?
The canonical SMILES for 4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole is Cc1ccc(CCl)cc1-n1cc(Cl)cn1.
What is the InChIKey of 4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole?
The InChIKey is OJTZULSGXHDPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c1-8-2-3-9(5-12)4-11(8)15-7-10(13)6-14-15/h2-4,6-7H,5H2,1H3.
What are the key properties of 4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole?
4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole has a molecular weight of 241.12 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[5-(chloromethyl)-2-methylphenyl]pyrazole is sourced from PubChem (CID 105405924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).