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

C10H15F3N2O2 — CID 146379044

IUPAC1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole
SMILESCOc1nn(C(C)(C)C)c(OC)c1C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-9(2,3)15-8(17-5)6(10(11,12)13)7(14-15)16-4/h1-5H3
InChIKeyHIMRGNCGSDIBAF-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.67
Rot. Bonds2

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

1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole (PubChem CID 146379044) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole
PubChem CID146379044
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole
SMILESCOc1nn(C(C)(C)C)c(OC)c1C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-9(2,3)15-8(17-5)6(10(11,12)13)7(14-15)16-4/h1-5H3
InChIKeyHIMRGNCGSDIBAF-UHFFFAOYSA-N
XLogP2.67
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole
CID 146379055
1-tert-butyl-3-iodo-5-methoxy-4-(trifluoromethyl)pyrazole
CID 146379047
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
CID 147500583
1-tert-butyl-4,5-difluoro-3-methoxypyrazole
CID 146378578
1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole
CID 146377153
1-tert-butyl-3,4-dimethoxy-5-methylpyrazole
CID 146378620
4-tert-butyl-3,5-dimethoxy-1-methylpyrazole
CID 146378445
4-bromo-1-tert-butyl-5-(difluoromethyl)-3-methoxypyrazole
CID 153449588
5-bromo-1-tert-butyl-4-chloro-3-methoxypyrazole
CID 153449714
1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole
CID 146379292
1-tert-butyl-5-fluoro-4-methoxy-3-(trifluoromethyl)pyrazole
CID 146379021
1-tert-butyl-4-fluoro-5-methoxytriazole
CID 146378180

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole (CID 146379044) is 1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole is COc1nn(C(C)(C)C)c(OC)c1C(F)(F)F.
What is the InChIKey of 1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole?
The InChIKey is HIMRGNCGSDIBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-9(2,3)15-8(17-5)6(10(11,12)13)7(14-15)16-4/h1-5H3.
What are the key properties of 1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole?
1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole has a molecular weight of 252.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 146379044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).