4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole

C10H7Cl3N2 — CID 23445015

IUPAC4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole
SMILESClCc1cnn(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C10H7Cl3N2/c11-4-7-5-14-15(6-7)8-1-2-9(12)10(13)3-8/h1-3,5-6H,4H2
InChIKeyLZHCUMPFZKOLLM-UHFFFAOYSA-N
MW261.54 g/mol
LogP3.92
Rot. Bonds2

About 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole

4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole (PubChem CID 23445015) has the molecular formula C10H7Cl3N2 and a molecular weight of 261.54 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole
PubChem CID23445015
Molecular FormulaC10H7Cl3N2
Molecular Weight261.54 g/mol
Exact Mass259.97
IUPAC Name4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole
SMILESClCc1cnn(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C10H7Cl3N2/c11-4-7-5-14-15(6-7)8-1-2-9(12)10(13)3-8/h1-3,5-6H,4H2
InChIKeyLZHCUMPFZKOLLM-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.54
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide
CID 61394747
N-[[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 61270360
N-[[1-(4-chloro-3-fluorophenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 79149654
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
tert-butyl 2-[1-(4-chloro-3-methylphenyl)pyrazol-4-yl]acetate
CID 176713842
1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
CID 79149054
2-[1-(4-chlorophenyl)pyrazol-4-yl]acetonitrile
CID 105471879
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
1-[2-chloro-4-(chloromethyl)phenyl]-4-methylpyrazole
CID 81152621
1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine
CID 66425931
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole
CID 62730927
4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine
CID 62718920

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole?
The IUPAC name of 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole (CID 23445015) is 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole?
The canonical SMILES for 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole is ClCc1cnn(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole?
The InChIKey is LZHCUMPFZKOLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2/c11-4-7-5-14-15(6-7)8-1-2-9(12)10(13)3-8/h1-3,5-6H,4H2.
What are the key properties of 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole?
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole has a molecular weight of 261.54 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole is sourced from PubChem (CID 23445015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).