1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole

C10H15F3N2 — CID 146379292

IUPAC1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole
SMILESCc1nn(C(C)(C)C)c(C)c1C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-6-8(10(11,12)13)7(2)15(14-6)9(3,4)5/h1-5H3
InChIKeyVXXJUOZYFSXFQW-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.27
Rot. Bonds

About 1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole

1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole (PubChem CID 146379292) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole
PubChem CID146379292
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole
SMILESCc1nn(C(C)(C)C)c(C)c1C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-6-8(10(11,12)13)7(2)15(14-6)9(3,4)5/h1-5H3
InChIKeyVXXJUOZYFSXFQW-UHFFFAOYSA-N
XLogP3.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole
CID 146379055
1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole
CID 126752699
1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde
CID 2776936
(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol
CID 55255170
3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 170918200
1-tert-butyl-3-chloro-4-fluoro-5-methylpyrazole
CID 146379013
1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole
CID 146379044
2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
CID 79219682
1-tert-butyl-4-methyl-3,5-bis(trifluoromethyl)pyrazole
CID 146379193
1-tert-butyl-5-methyl-4-(trifluoromethyl)pyrazole
CID 146377403
1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride
CID 18769500
1-tert-butyl-3-iodo-5-methoxy-4-(trifluoromethyl)pyrazole
CID 146379047

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole (CID 146379292) is 1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole is Cc1nn(C(C)(C)C)c(C)c1C(F)(F)F.
What is the InChIKey of 1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole?
The InChIKey is VXXJUOZYFSXFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-6-8(10(11,12)13)7(2)15(14-6)9(3,4)5/h1-5H3.
What are the key properties of 1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole?
1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole has a molecular weight of 220.24 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 146379292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).