1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole

C11H8ClF3N2 — CID 14668996

IUPAC1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H8ClF3N2/c1-7-6-10(11(13,14)15)17(16-7)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyKBKVSUDNXVLGQJ-UHFFFAOYSA-N
MW260.65 g/mol
LogP3.85
Rot. Bonds1

About 1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole

1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 14668996) has the molecular formula C11H8ClF3N2 and a molecular weight of 260.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole
PubChem CID14668996
Molecular FormulaC11H8ClF3N2
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H8ClF3N2/c1-7-6-10(11(13,14)15)17(16-7)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyKBKVSUDNXVLGQJ-UHFFFAOYSA-N
XLogP3.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
Dimethylphenylpyrazole
CID 70800
4-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzenamine
CID 718051
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6483733
1,5-Bis-(4-chloro-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10021211
5-chloro-4-(chloromethyl)-3-methyl-1-phenyl-1H-pyrazole
CID 4962775
1-(3-chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazole
CID 799751
1-(3,4-Dichlorophenyl)-3,5-dimethylpyrazole
CID 1072358
1-(4-chlorophenyl)-1H-pyrazole
CID 12238132
5-Chloro-3-methyl-1-phenyl-1H-pyrazole
CID 2735771
3-Methyl-1-phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 14668995
1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazole
CID 21724113

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole (CID 14668996) is 1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is KBKVSUDNXVLGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2/c1-7-6-10(11(13,14)15)17(16-7)9-4-2-8(12)3-5-9/h2-6H,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole?
1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 260.65 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 14668996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).