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

C13H17F3N2 — CID 90162202

IUPAC4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1cc(C2=CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N2/c1-9(2)18-8-11(10-6-4-3-5-7-10)12(17-18)13(14,15)16/h6,8-9H,3-5,7H2,1-2H3
InChIKeyWCNJMIRZKZHHNP-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.44
Rot. Bonds2

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

4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 90162202) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID90162202
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1cc(C2=CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N2/c1-9(2)18-8-11(10-6-4-3-5-7-10)12(17-18)13(14,15)16/h6,8-9H,3-5,7H2,1-2H3
InChIKeyWCNJMIRZKZHHNP-UHFFFAOYSA-N
XLogP4.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.44
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-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 90162202) is 4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)n1cc(C2=CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is WCNJMIRZKZHHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9(2)18-8-11(10-6-4-3-5-7-10)12(17-18)13(14,15)16/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 258.29 g/mol, XLogP of 4.44, 2 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-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90162202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).