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

C10H18N2O2 — CID 146378445

IUPAC4-tert-butyl-3,5-dimethoxy-1-methylpyrazole
SMILESCOc1nn(C)c(OC)c1C(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-10(2,3)7-8(13-5)11-12(4)9(7)14-6/h1-6H3
InChIKeyJMTLYBOWRRHMMQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.73
Rot. Bonds2

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

4-tert-butyl-3,5-dimethoxy-1-methylpyrazole (PubChem CID 146378445) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-tert-butyl-3,5-dimethoxy-1-methylpyrazole.

Molecular Properties

Compound Name4-tert-butyl-3,5-dimethoxy-1-methylpyrazole
PubChem CID146378445
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-tert-butyl-3,5-dimethoxy-1-methylpyrazole
SMILESCOc1nn(C)c(OC)c1C(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-10(2,3)7-8(13-5)11-12(4)9(7)14-6/h1-6H3
InChIKeyJMTLYBOWRRHMMQ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-3,5-dimethoxy-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-3-methoxy-1,5-dimethylpyrazole
CID 146379732
4-iodo-3,5-dimethoxy-1-methylpyrazole
CID 10015835
1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole
CID 146379044
5-bromo-3-methoxy-1-methyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146379474
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
CID 147500583
6-[1-chloro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-2-yl]pyridine-2-carbonitrile
CID 177308806
5,6-dimethoxy-2-methylpyridazin-3-one
CID 10607232
5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 2775266
4,5-ditert-butyl-3-fluoro-1-methylpyrazole
CID 176827799
5-fluoro-3-methoxy-1-methylpyrazole-4-carbonitrile
CID 130286638
3-bromo-4-tert-butyl-5-iodo-1-methylpyrazole
CID 147875987
5-bromo-4-tert-butyl-3-chloro-1-methylpyrazole
CID 153449602

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-dimethoxy-1-methylpyrazole?
The IUPAC name of 4-tert-butyl-3,5-dimethoxy-1-methylpyrazole (CID 146378445) is 4-tert-butyl-3,5-dimethoxy-1-methylpyrazole.
What is the SMILES notation for 4-tert-butyl-3,5-dimethoxy-1-methylpyrazole?
The canonical SMILES for 4-tert-butyl-3,5-dimethoxy-1-methylpyrazole is COc1nn(C)c(OC)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3,5-dimethoxy-1-methylpyrazole?
The InChIKey is JMTLYBOWRRHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)7-8(13-5)11-12(4)9(7)14-6/h1-6H3.
What are the key properties of 4-tert-butyl-3,5-dimethoxy-1-methylpyrazole?
4-tert-butyl-3,5-dimethoxy-1-methylpyrazole has a molecular weight of 198.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-dimethoxy-1-methylpyrazole is sourced from PubChem (CID 146378445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).