5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole

C9H16N2O — CID 135170462

IUPAC5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole
SMILESCOC(C)(C)c1cc(C)nn1C
InChIInChI=1S/C9H16N2O/c1-7-6-8(11(4)10-7)9(2,3)12-5/h6H,1-5H3
InChIKeyQMWRQEAXIQFJJB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.61
Rot. Bonds2

About 5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole

5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole (PubChem CID 135170462) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole
PubChem CID135170462
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole
SMILESCOC(C)(C)c1cc(C)nn1C
InChIInChI=1S/C9H16N2O/c1-7-6-8(11(4)10-7)9(2,3)12-5/h6H,1-5H3
InChIKeyQMWRQEAXIQFJJB-UHFFFAOYSA-N
XLogP1.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole
CID 135170466
1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 83828117
1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole
CID 83909101
2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid
CID 83831191
2-cyclopropyl-2-(2,5-dimethylpyrazol-3-yl)propan-1-amine
CID 83830552
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79198502
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027581
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757879
2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide
CID 82723366
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760786
4-methoxy-2,6-dimethylpyridazin-3-one
CID 139521587

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole (CID 135170462) is 5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole is COC(C)(C)c1cc(C)nn1C.
What is the InChIKey of 5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole?
The InChIKey is QMWRQEAXIQFJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-6-8(11(4)10-7)9(2,3)12-5/h6H,1-5H3.
What are the key properties of 5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole?
5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole has a molecular weight of 168.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole is sourced from PubChem (CID 135170462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).