1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole

C11H15F3N2 — CID 70919594

IUPAC1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CC2CCCCC2)n1
InChIInChI=1S/C11H15F3N2/c12-11(13,14)10-6-7-16(15-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyJHUPXEMXNXNZJI-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.48
Rot. Bonds2

About 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole

1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 70919594) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole
PubChem CID70919594
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CC2CCCCC2)n1
InChIInChI=1S/C11H15F3N2/c12-11(13,14)10-6-7-16(15-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyJHUPXEMXNXNZJI-UHFFFAOYSA-N
XLogP3.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole (CID 70919594) is 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(CC2CCCCC2)n1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is JHUPXEMXNXNZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c12-11(13,14)10-6-7-16(15-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole?
1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 232.25 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70919594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).