4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole

C7H7F3N2 — CID 90162148

IUPAC4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESC=Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C7H7F3N2/c1-3-5-4-12(2)11-6(5)7(8,9)10/h3-4H,1H2,2H3
InChIKeyVYKVEZGQQKBTCS-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.08
Rot. Bonds1

About 4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole

4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 90162148) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID90162148
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESC=Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C7H7F3N2/c1-3-5-4-12(2)11-6(5)7(8,9)10/h3-4H,1H2,2H3
InChIKeyVYKVEZGQQKBTCS-UHFFFAOYSA-N
XLogP2.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole (CID 90162148) is 4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole is C=Cc1cn(C)nc1C(F)(F)F.
What is the InChIKey of 4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is VYKVEZGQQKBTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c1-3-5-4-12(2)11-6(5)7(8,9)10/h3-4H,1H2,2H3.
What are the key properties of 4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole?
4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 176.14 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90162148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).