4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole

C15H17F3N2 — CID 135065113

IUPAC4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESCCCCc1c(C(F)(F)F)nn(-c2ccccc2)c1C
InChIInChI=1S/C15H17F3N2/c1-3-4-10-13-11(2)20(12-8-6-5-7-9-12)19-14(13)15(16,17)18/h5-9H,3-4,10H2,1-2H3
InChIKeyJDOKMBBUOKOERL-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.54
Rot. Bonds4

About 4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole

4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole (PubChem CID 135065113) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole
PubChem CID135065113
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESCCCCc1c(C(F)(F)F)nn(-c2ccccc2)c1C
InChIInChI=1S/C15H17F3N2/c1-3-4-10-13-11(2)20(12-8-6-5-7-9-12)19-14(13)15(16,17)18/h5-9H,3-4,10H2,1-2H3
InChIKeyJDOKMBBUOKOERL-UHFFFAOYSA-N
XLogP4.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.54
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
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
(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
2-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
CID 2804987
4-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzenamine
CID 718051
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1,3,5-Triphenylpyrazole
CID 626614
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole (CID 135065113) is 4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole is CCCCc1c(C(F)(F)F)nn(-c2ccccc2)c1C.
What is the InChIKey of 4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is JDOKMBBUOKOERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-3-4-10-13-11(2)20(12-8-6-5-7-9-12)19-14(13)15(16,17)18/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole?
4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 282.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 135065113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).