4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole

C14H21F3N2 — CID 58504365

IUPAC4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole
SMILESCC(C)(C)c1cnn(C2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-13(2,3)11-9-18-19(12(11)14(15,16)17)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyVVUBHELCPGZEFX-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.70
Rot. Bonds1

About 4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole

4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole (PubChem CID 58504365) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole
PubChem CID58504365
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole
SMILESCC(C)(C)c1cnn(C2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-13(2,3)11-9-18-19(12(11)14(15,16)17)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyVVUBHELCPGZEFX-UHFFFAOYSA-N
XLogP4.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole (CID 58504365) is 4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole is CC(C)(C)c1cnn(C2CCCCC2)c1C(F)(F)F.
What is the InChIKey of 4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole?
The InChIKey is VVUBHELCPGZEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-13(2,3)11-9-18-19(12(11)14(15,16)17)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole?
4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole has a molecular weight of 274.33 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 58504365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).