1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole

C13H13F3N2 — CID 59569138

IUPAC1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C13H13F3N2/c1-9(2)11-8-18(10-6-4-3-5-7-10)17-12(11)13(14,15)16/h3-9H,1-2H3
InChIKeyQNYYKJPGXPXWPK-UHFFFAOYSA-N
MW254.26 g/mol
LogP4.01
Rot. Bonds2

About 1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole

1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 59569138) has the molecular formula C13H13F3N2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID59569138
Molecular FormulaC13H13F3N2
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C13H13F3N2/c1-9(2)11-8-18(10-6-4-3-5-7-10)17-12(11)13(14,15)16/h3-9H,1-2H3
InChIKeyQNYYKJPGXPXWPK-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 59569138) is 1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)c1cn(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is QNYYKJPGXPXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-9(2)11-8-18(10-6-4-3-5-7-10)17-12(11)13(14,15)16/h3-9H,1-2H3.
What are the key properties of 1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 254.26 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59569138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).