5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole

C10H9F3N2 — CID 91271091

IUPAC5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1C1=CC=CC1
InChIInChI=1S/C10H9F3N2/c1-15-8(7-4-2-3-5-7)6-9(14-15)10(11,12)13/h2-4,6H,5H2,1H3
InChIKeyUESODYWAARIJES-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.78
Rot. Bonds1

About 5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole

5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 91271091) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID91271091
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1C1=CC=CC1
InChIInChI=1S/C10H9F3N2/c1-15-8(7-4-2-3-5-7)6-9(14-15)10(11,12)13/h2-4,6H,5H2,1H3
InChIKeyUESODYWAARIJES-UHFFFAOYSA-N
XLogP2.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole (CID 91271091) is 5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1C1=CC=CC1.
What is the InChIKey of 5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is UESODYWAARIJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-15-8(7-4-2-3-5-7)6-9(14-15)10(11,12)13/h2-4,6H,5H2,1H3.
What are the key properties of 5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole?
5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 214.19 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 91271091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).