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

C11H8F4N2 — CID 15498741

IUPAC1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H8F4N2/c1-7-6-10(11(13,14)15)16-17(7)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyOXVVOGCXINIXSZ-UHFFFAOYSA-N
MW244.19 g/mol
LogP3.34
Rot. Bonds1

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

1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 15498741) has the molecular formula C11H8F4N2 and a molecular weight of 244.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole
PubChem CID15498741
Molecular FormulaC11H8F4N2
Molecular Weight244.19 g/mol
Exact Mass244.06
IUPAC Name1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H8F4N2/c1-7-6-10(11(13,14)15)16-17(7)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyOXVVOGCXINIXSZ-UHFFFAOYSA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine
CID 7037010
4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline
CID 2740668
1-Phenyl-3-propyl-pyrazole
CID 57320331
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Dimethylphenylpyrazole
CID 70800
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
4-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzenamine
CID 718051
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
3,5-Dimethyl-1-(4-nitrophenyl)pyrazole
CID 252929
3,5-Dimethyl-4-nitroso-1-phenylpyrazole
CID 12853
3-methyl-1-phenyl-1H-pyrazole
CID 70783
1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 2380354

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole (CID 15498741) is 1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is OXVVOGCXINIXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2/c1-7-6-10(11(13,14)15)16-17(7)9-4-2-8(12)3-5-9/h2-6H,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 244.19 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 15498741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).