4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole

C11H13F3N2 — CID 90167694

IUPAC4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(C2=CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2/c1-16-7-9(8-5-3-2-4-6-8)10(15-16)11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyKSNJRSRRKTZOHP-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.40
Rot. Bonds1

About 4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole

4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 90167694) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID90167694
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(C2=CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2/c1-16-7-9(8-5-3-2-4-6-8)10(15-16)11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyKSNJRSRRKTZOHP-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 90167694) is 4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole is Cn1cc(C2=CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is KSNJRSRRKTZOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-16-7-9(8-5-3-2-4-6-8)10(15-16)11(12,13)14/h5,7H,2-4,6H2,1H3.
What are the key properties of 4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 230.23 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90167694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).