1-[4-(trifluoromethyl)cyclohexyl]pyrazole

C10H13F3N2 — CID 174894166

IUPAC1-[4-(trifluoromethyl)cyclohexyl]pyrazole
SMILESFC(F)(F)C1CCC(n2cccn2)CC1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15/h1,6-9H,2-5H2
InChIKeyIPQULTKDMPOVGW-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.18
Rot. Bonds1

About 1-[4-(trifluoromethyl)cyclohexyl]pyrazole

1-[4-(trifluoromethyl)cyclohexyl]pyrazole (PubChem CID 174894166) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexyl]pyrazole.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexyl]pyrazole
PubChem CID174894166
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1-[4-(trifluoromethyl)cyclohexyl]pyrazole
SMILESFC(F)(F)C1CCC(n2cccn2)CC1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15/h1,6-9H,2-5H2
InChIKeyIPQULTKDMPOVGW-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]pyrazole?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]pyrazole (CID 174894166) is 1-[4-(trifluoromethyl)cyclohexyl]pyrazole.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexyl]pyrazole?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexyl]pyrazole is FC(F)(F)C1CCC(n2cccn2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexyl]pyrazole?
The InChIKey is IPQULTKDMPOVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15/h1,6-9H,2-5H2.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexyl]pyrazole?
1-[4-(trifluoromethyl)cyclohexyl]pyrazole has a molecular weight of 218.22 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexyl]pyrazole is sourced from PubChem (CID 174894166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).