4-tert-butyl-3-methoxy-1,5-dimethylpyrazole

C10H18N2O — CID 146379732

IUPAC4-tert-butyl-3-methoxy-1,5-dimethylpyrazole
SMILESCOc1nn(C)c(C)c1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-7-8(10(2,3)4)9(13-6)11-12(7)5/h1-6H3
InChIKeyHGBMBLHDJSIMNF-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.03
Rot. Bonds1

About 4-tert-butyl-3-methoxy-1,5-dimethylpyrazole

4-tert-butyl-3-methoxy-1,5-dimethylpyrazole (PubChem CID 146379732) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-tert-butyl-3-methoxy-1,5-dimethylpyrazole.

Molecular Properties

Compound Name4-tert-butyl-3-methoxy-1,5-dimethylpyrazole
PubChem CID146379732
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-tert-butyl-3-methoxy-1,5-dimethylpyrazole
SMILESCOc1nn(C)c(C)c1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-7-8(10(2,3)4)9(13-6)11-12(7)5/h1-6H3
InChIKeyHGBMBLHDJSIMNF-UHFFFAOYSA-N
XLogP2.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-3,5-dimethoxy-1-methylpyrazole
CID 146378445
4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one
CID 14910655
5-bromo-3-methoxy-1-methyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146379474
1-tert-butyl-3,4-dimethoxy-5-methylpyrazole
CID 146378620
4-iodo-3,5-dimethoxy-1-methylpyrazole
CID 10015835
2-tert-butyl-1,3,5-trimethylbenzene;4-tert-butyl-1,3,5-trimethylpyrazole;5-tert-butyl-2,4,6-trimethylpyrimidine
CID 162004847
1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole
CID 146379044
5-tert-butyl-1,3-dimethyl-1,2,4-triazole
CID 59464025
5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 103028410
5,6-dimethoxy-2-methylpyridazin-3-one
CID 10607232
1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123898
1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine
CID 82666137

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methoxy-1,5-dimethylpyrazole?
The IUPAC name of 4-tert-butyl-3-methoxy-1,5-dimethylpyrazole (CID 146379732) is 4-tert-butyl-3-methoxy-1,5-dimethylpyrazole.
What is the SMILES notation for 4-tert-butyl-3-methoxy-1,5-dimethylpyrazole?
The canonical SMILES for 4-tert-butyl-3-methoxy-1,5-dimethylpyrazole is COc1nn(C)c(C)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methoxy-1,5-dimethylpyrazole?
The InChIKey is HGBMBLHDJSIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7-8(10(2,3)4)9(13-6)11-12(7)5/h1-6H3.
What are the key properties of 4-tert-butyl-3-methoxy-1,5-dimethylpyrazole?
4-tert-butyl-3-methoxy-1,5-dimethylpyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methoxy-1,5-dimethylpyrazole is sourced from PubChem (CID 146379732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).