3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole

C10H15F3N2 — CID 58157486

IUPAC3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1cc(C(C)(C)C)nn1CC(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-7-5-8(9(2,3)4)14-15(7)6-10(11,12)13/h5H,6H2,1-4H3
InChIKeyLFSKPFPBGZYPDO-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.05
Rot. Bonds1

About 3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole

3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 58157486) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID58157486
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1cc(C(C)(C)C)nn1CC(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-7-5-8(9(2,3)4)14-15(7)6-10(11,12)13/h5H,6H2,1-4H3
InChIKeyLFSKPFPBGZYPDO-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Allyl-3,5-dimethylpyrazole
CID 25930
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1-Methyl-3,5-di-t-butylpyrazole
CID 145635
1-Methyl-3-t-butylpyrazole
CID 145633
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
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
3,5-Ditert-butyl-1-propan-2-ylpyrazole
CID 2742034
1-Ethyl-3,5-dimethyl-1H-pyrazole
CID 565993
{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-methylethyl}amine
CID 19620826

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 58157486) is 3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole is Cc1cc(C(C)(C)C)nn1CC(F)(F)F.
What is the InChIKey of 3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is LFSKPFPBGZYPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-7-5-8(9(2,3)4)14-15(7)6-10(11,12)13/h5H,6H2,1-4H3.
What are the key properties of 3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 220.24 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 58157486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).