3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol

C12H22N2O3 — CID 66036946

IUPAC3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol
SMILESCCn1nc(C)cc1CC(C)(O)C(OC)OC
InChIInChI=1S/C12H22N2O3/c1-6-14-10(7-9(2)13-14)8-12(3,15)11(16-4)17-5/h7,11,15H,6,8H2,1-5H3
InChIKeyLHOBKPMSXRLKAK-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.12
Rot. Bonds6

About 3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol

3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol (PubChem CID 66036946) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol
PubChem CID66036946
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol
SMILESCCn1nc(C)cc1CC(C)(O)C(OC)OC
InChIInChI=1S/C12H22N2O3/c1-6-14-10(7-9(2)13-14)8-12(3,15)11(16-4)17-5/h7,11,15H,6,8H2,1-5H3
InChIKeyLHOBKPMSXRLKAK-UHFFFAOYSA-N
XLogP1.12
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol 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

3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 66040031
5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol
CID 103391462
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid
CID 83149292
5-[2-(bromomethyl)-2-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66049564
3-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106190012
5-[2-(chloromethyl)-2-ethylbutyl]-1-ethyl-3-methylpyrazole
CID 66035159
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79616916
2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487287
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 114164718
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79444422

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol?
The IUPAC name of 3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol (CID 66036946) is 3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol?
The canonical SMILES for 3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol is CCn1nc(C)cc1CC(C)(O)C(OC)OC.
What is the InChIKey of 3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol?
The InChIKey is LHOBKPMSXRLKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-6-14-10(7-9(2)13-14)8-12(3,15)11(16-4)17-5/h7,11,15H,6,8H2,1-5H3.
What are the key properties of 3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol?
3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol is sourced from PubChem (CID 66036946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).