4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole

C14H12F6N2 — CID 102168707

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F6N2/c1-7-12(8(2)22(3)21-7)9-4-10(13(15,16)17)6-11(5-9)14(18,19)20/h4-6H,1-3H3
InChIKeyWXNXGAQXJSCMTR-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.74
Rot. Bonds1

About 4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole

4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole (PubChem CID 102168707) has the molecular formula C14H12F6N2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole
PubChem CID102168707
Molecular FormulaC14H12F6N2
Molecular Weight322.25 g/mol
Exact Mass322.09
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F6N2/c1-7-12(8(2)22(3)21-7)9-4-10(13(15,16)17)6-11(5-9)14(18,19)20/h4-6H,1-3H3
InChIKeyWXNXGAQXJSCMTR-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
4,5-bis[3,5-bis(trifluoromethyl)phenyl]-3-methyl-1-phenylpyrazole
CID 102137364
9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol
CID 59493120
3-bromo-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 65491585
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 65307163
4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine
CID 74767671
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 115350267
4,5-bis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrazole
CID 102137369
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
4-[4-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol
CID 137183407
9-[3,5-bis(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octafluoro-10-[3-methyl-5-(trifluoromethyl)phenyl]anthracene
CID 166974251
1-[3-methyl-4-(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
CID 169072324

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole (CID 102168707) is 4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole?
The InChIKey is WXNXGAQXJSCMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N2/c1-7-12(8(2)22(3)21-7)9-4-10(13(15,16)17)6-11(5-9)14(18,19)20/h4-6H,1-3H3.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole?
4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole has a molecular weight of 322.25 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole is sourced from PubChem (CID 102168707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).