1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole

C10H15F3N2O — CID 146379055

IUPAC1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole
SMILESCOc1c(C(F)(F)F)c(C)nn1C(C)(C)C
InChIInChI=1S/C10H15F3N2O/c1-6-7(10(11,12)13)8(16-5)15(14-6)9(2,3)4/h1-5H3
InChIKeyQZDPKGSWSWMCDH-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.97
Rot. Bonds1

About 1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole

1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole (PubChem CID 146379055) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole
PubChem CID146379055
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole
SMILESCOc1c(C(F)(F)F)c(C)nn1C(C)(C)C
InChIInChI=1S/C10H15F3N2O/c1-6-7(10(11,12)13)8(16-5)15(14-6)9(2,3)4/h1-5H3
InChIKeyQZDPKGSWSWMCDH-UHFFFAOYSA-N
XLogP2.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole
CID 146379044
1-tert-butyl-3-iodo-5-methoxy-4-(trifluoromethyl)pyrazole
CID 146379047
1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole
CID 146379292
2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol
CID 117124476
1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole
CID 146377153
N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide
CID 146379239
1,3-ditert-butyl-5-methoxypyrazole-4-carboxylic acid
CID 117124559
1-tert-butyl-5-fluoro-4-methoxy-3-(trifluoromethyl)pyrazole
CID 146379021
1-tert-butyl-4-fluoro-5-methoxytriazole
CID 146378180
1-tert-butyl-4-fluoro-5-methoxypyrazole
CID 146376902
4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 177041669
1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole
CID 146378040

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole (CID 146379055) is 1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole is COc1c(C(F)(F)F)c(C)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole?
The InChIKey is QZDPKGSWSWMCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-6-7(10(11,12)13)8(16-5)15(14-6)9(2,3)4/h1-5H3.
What are the key properties of 1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole?
1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole has a molecular weight of 236.24 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 146379055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).