1-tert-butyl-4,5-difluoro-3-methoxypyrazole

C8H12F2N2O — CID 146378578

IUPAC1-tert-butyl-4,5-difluoro-3-methoxypyrazole
SMILESCOc1nn(C(C)(C)C)c(F)c1F
InChIInChI=1S/C8H12F2N2O/c1-8(2,3)12-6(10)5(9)7(11-12)13-4/h1-4H3
InChIKeyMBYPKHVYKCUURC-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.92
Rot. Bonds1

About 1-tert-butyl-4,5-difluoro-3-methoxypyrazole

1-tert-butyl-4,5-difluoro-3-methoxypyrazole (PubChem CID 146378578) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-tert-butyl-4,5-difluoro-3-methoxypyrazole.

Molecular Properties

Compound Name1-tert-butyl-4,5-difluoro-3-methoxypyrazole
PubChem CID146378578
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-tert-butyl-4,5-difluoro-3-methoxypyrazole
SMILESCOc1nn(C(C)(C)C)c(F)c1F
InChIInChI=1S/C8H12F2N2O/c1-8(2,3)12-6(10)5(9)7(11-12)13-4/h1-4H3
InChIKeyMBYPKHVYKCUURC-UHFFFAOYSA-N
XLogP1.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-5-fluoro-4-methoxy-3-(trifluoromethyl)pyrazole
CID 146379021
1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole
CID 146379044
1-tert-butyl-3,4-dimethoxy-5-methylpyrazole
CID 146378620
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
CID 147500583
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-fluoro-4,5-dimethoxypyrazole
CID 146377153
3-bromo-1-tert-butyl-5-fluoro-4-methylpyrazole
CID 153449713
1-tert-butyl-4-fluoro-5-methoxytriazole
CID 146378180
1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633769
1-tert-butyl-4-fluoro-5-methoxypyrazole
CID 146376902
N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide
CID 147100031

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,5-difluoro-3-methoxypyrazole?
The IUPAC name of 1-tert-butyl-4,5-difluoro-3-methoxypyrazole (CID 146378578) is 1-tert-butyl-4,5-difluoro-3-methoxypyrazole.
What is the SMILES notation for 1-tert-butyl-4,5-difluoro-3-methoxypyrazole?
The canonical SMILES for 1-tert-butyl-4,5-difluoro-3-methoxypyrazole is COc1nn(C(C)(C)C)c(F)c1F.
What is the InChIKey of 1-tert-butyl-4,5-difluoro-3-methoxypyrazole?
The InChIKey is MBYPKHVYKCUURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-8(2,3)12-6(10)5(9)7(11-12)13-4/h1-4H3.
What are the key properties of 1-tert-butyl-4,5-difluoro-3-methoxypyrazole?
1-tert-butyl-4,5-difluoro-3-methoxypyrazole has a molecular weight of 190.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,5-difluoro-3-methoxypyrazole is sourced from PubChem (CID 146378578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).