5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole

C10H15F3N2 — CID 58157455

IUPAC5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1C(C)(C)C
InChIInChI=1S/C10H15F3N2/c1-5-15-8(9(2,3)4)6-7(14-15)10(11,12)13/h6H,5H2,1-4H3
InChIKeyRRNAHHYDQCCZII-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.22
Rot. Bonds1

About 5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole

5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole (PubChem CID 58157455) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole
PubChem CID58157455
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1C(C)(C)C
InChIInChI=1S/C10H15F3N2/c1-5-15-8(9(2,3)4)6-7(14-15)10(11,12)13/h6H,5H2,1-4H3
InChIKeyRRNAHHYDQCCZII-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1-Methyl-3,5-di-t-butylpyrazole
CID 145635
1-Methyl-3-t-butylpyrazole
CID 145633
3-tert-Butyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CID 45926014
1-Methyl-5-t-butylpyrazole
CID 145634
1-(Difluoromethyl)-3,5-dimethylpyrazole
CID 2060834
1-Methyl-3,5-bis(trifluoro-methyl)-1h-pyrazole
CID 20798616
3,5-Ditert-butyl-1-propan-2-ylpyrazole
CID 2742034
{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-methylethyl}amine
CID 19620826
3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 7018524
1-(2-Fluoroethyl)-3,5-dimethyl-1H-pyrazole
CID 14449515
1,3-dimethyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420923

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole (CID 58157455) is 5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole is CCn1nc(C(F)(F)F)cc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is RRNAHHYDQCCZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-5-15-8(9(2,3)4)6-7(14-15)10(11,12)13/h6H,5H2,1-4H3.
What are the key properties of 5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole?
5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 220.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 58157455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).