1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole

C12H10F4N2 — CID 130252820

IUPAC1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole
SMILESCCc1ccc(-n2cc(C(F)(F)F)cn2)cc1F
InChIInChI=1S/C12H10F4N2/c1-2-8-3-4-10(5-11(8)13)18-7-9(6-17-18)12(14,15)16/h3-7H,2H2,1H3
InChIKeyKSRJVBDOZFCGGI-UHFFFAOYSA-N
MW258.22 g/mol
LogP3.59
Rot. Bonds2

About 1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole

1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole (PubChem CID 130252820) has the molecular formula C12H10F4N2 and a molecular weight of 258.22 g/mol. Its IUPAC name is 1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole
PubChem CID130252820
Molecular FormulaC12H10F4N2
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole
SMILESCCc1ccc(-n2cc(C(F)(F)F)cn2)cc1F
InChIInChI=1S/C12H10F4N2/c1-2-8-3-4-10(5-11(8)13)18-7-9(6-17-18)12(14,15)16/h3-7H,2H2,1H3
InChIKeyKSRJVBDOZFCGGI-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole (CID 130252820) is 1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole is CCc1ccc(-n2cc(C(F)(F)F)cn2)cc1F.
What is the InChIKey of 1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole?
The InChIKey is KSRJVBDOZFCGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2/c1-2-8-3-4-10(5-11(8)13)18-7-9(6-17-18)12(14,15)16/h3-7H,2H2,1H3.
What are the key properties of 1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole?
1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole has a molecular weight of 258.22 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 130252820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).