4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole

C13H13Cl3N2 — CID 65318538

IUPAC4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cc2cc(Cl)ccc2Cl)c(C)c1CCl
InChIInChI=1S/C13H13Cl3N2/c1-8-12(6-14)9(2)18(17-8)7-10-5-11(15)3-4-13(10)16/h3-5H,6-7H2,1-2H3
InChIKeyLUEAXXLLMDSQLR-UHFFFAOYSA-N
MW303.62 g/mol
LogP4.59
Rot. Bonds3

About 4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole

4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole (PubChem CID 65318538) has the molecular formula C13H13Cl3N2 and a molecular weight of 303.62 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole
PubChem CID65318538
Molecular FormulaC13H13Cl3N2
Molecular Weight303.62 g/mol
Exact Mass302.01
IUPAC Name4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cc2cc(Cl)ccc2Cl)c(C)c1CCl
InChIInChI=1S/C13H13Cl3N2/c1-8-12(6-14)9(2)18(17-8)7-10-5-11(15)3-4-13(10)16/h3-5H,6-7H2,1-2H3
InChIKeyLUEAXXLLMDSQLR-UHFFFAOYSA-N
XLogP4.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.62
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole 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

2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65315793
[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647581
[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647441
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 114851493
1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 103051638
1-(1-benzothiophen-3-ylmethyl)-4-(chloromethyl)-3,5-dimethylpyrazole
CID 63738820
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
1-(2,5-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79006355
5-chloro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 62101913
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 114851495
[1-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647471
[1-[(3-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 102856719

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole (CID 65318538) is 4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole is Cc1nn(Cc2cc(Cl)ccc2Cl)c(C)c1CCl.
What is the InChIKey of 4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole?
The InChIKey is LUEAXXLLMDSQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N2/c1-8-12(6-14)9(2)18(17-8)7-10-5-11(15)3-4-13(10)16/h3-5H,6-7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole?
4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole has a molecular weight of 303.62 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 65318538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).