4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole

C12H10ClF3N2 — CID 81254826

IUPAC4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCc1c(CCl)cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10ClF3N2/c1-8-9(6-13)7-17-18(8)11-4-2-10(3-5-11)12(14,15)16/h2-5,7H,6H2,1H3
InChIKeyAVZKAOBABHIDBY-UHFFFAOYSA-N
MW274.67 g/mol
LogP3.94
Rot. Bonds2

About 4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole

4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 81254826) has the molecular formula C12H10ClF3N2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID81254826
Molecular FormulaC12H10ClF3N2
Molecular Weight274.67 g/mol
Exact Mass274.05
IUPAC Name4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCc1c(CCl)cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10ClF3N2/c1-8-9(6-13)7-17-18(8)11-4-2-10(3-5-11)12(14,15)16/h2-5,7H,6H2,1H3
InChIKeyAVZKAOBABHIDBY-UHFFFAOYSA-N
XLogP3.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 53.94
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

2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 82305490
1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 81247880
4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
CID 66437732
5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 75355917
4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole
CID 66438359
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
4-(chloromethyl)-1-(2,6-dimethylphenyl)-5-methylpyrazole
CID 82528507
4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174394516
4-(chloromethyl)-1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 66436395
4-(chloromethyl)-1-(2-ethylphenyl)-5-methylpyrazole
CID 82528707
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291486
4-(chloromethyl)-5-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]triazole
CID 56769776

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 81254826) is 4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is Cc1c(CCl)cnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is AVZKAOBABHIDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2/c1-8-9(6-13)7-17-18(8)11-4-2-10(3-5-11)12(14,15)16/h2-5,7H,6H2,1H3.
What are the key properties of 4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 274.67 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 81254826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).