1-tert-butyl-3,4-dimethoxy-5-methylpyrazole

C10H18N2O2 — CID 146378620

IUPAC1-tert-butyl-3,4-dimethoxy-5-methylpyrazole
SMILESCOc1nn(C(C)(C)C)c(C)c1OC
InChIInChI=1S/C10H18N2O2/c1-7-8(13-5)9(14-6)11-12(7)10(2,3)4/h1-6H3
InChIKeyCARVWBLDLAXWSR-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.96
Rot. Bonds2

About 1-tert-butyl-3,4-dimethoxy-5-methylpyrazole

1-tert-butyl-3,4-dimethoxy-5-methylpyrazole (PubChem CID 146378620) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dimethoxy-5-methylpyrazole.

Molecular Properties

Compound Name1-tert-butyl-3,4-dimethoxy-5-methylpyrazole
PubChem CID146378620
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-tert-butyl-3,4-dimethoxy-5-methylpyrazole
SMILESCOc1nn(C(C)(C)C)c(C)c1OC
InChIInChI=1S/C10H18N2O2/c1-7-8(13-5)9(14-6)11-12(7)10(2,3)4/h1-6H3
InChIKeyCARVWBLDLAXWSR-UHFFFAOYSA-N
XLogP1.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-iodo-4-methoxy-5-methylpyrazole
CID 146378827
1-tert-butyl-4,5-difluoro-3-methoxypyrazole
CID 146378578
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
CID 147500583
5-bromo-1-tert-butyl-4-chloro-3-methoxypyrazole
CID 153449714
1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole
CID 146379044
(1-tert-butyl-3,5-dimethylpyrazol-4-yl) acetate
CID 66937923
1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole
CID 146377153
4-bromo-1-tert-butyl-5-(difluoromethyl)-3-methoxypyrazole
CID 153449588
1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole
CID 146378040
1-tert-butyl-5-fluoro-4-methoxy-3-(trifluoromethyl)pyrazole
CID 146379021
4-tert-butyl-3-methoxy-1,5-dimethylpyrazole
CID 146379732
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-3,4-dimethoxy-5-methylpyrazole?
The IUPAC name of 1-tert-butyl-3,4-dimethoxy-5-methylpyrazole (CID 146378620) is 1-tert-butyl-3,4-dimethoxy-5-methylpyrazole.
What is the SMILES notation for 1-tert-butyl-3,4-dimethoxy-5-methylpyrazole?
The canonical SMILES for 1-tert-butyl-3,4-dimethoxy-5-methylpyrazole is COc1nn(C(C)(C)C)c(C)c1OC.
What is the InChIKey of 1-tert-butyl-3,4-dimethoxy-5-methylpyrazole?
The InChIKey is CARVWBLDLAXWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7-8(13-5)9(14-6)11-12(7)10(2,3)4/h1-6H3.
What are the key properties of 1-tert-butyl-3,4-dimethoxy-5-methylpyrazole?
1-tert-butyl-3,4-dimethoxy-5-methylpyrazole has a molecular weight of 198.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-dimethoxy-5-methylpyrazole is sourced from PubChem (CID 146378620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).