1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol

C10H18N2O4 — CID 114636611

IUPAC1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol
SMILESCOc1cnn(C)c1C(C)(O)C(OC)OC
InChIInChI=1S/C10H18N2O4/c1-10(13,9(15-4)16-5)8-7(14-3)6-11-12(8)2/h6,9,13H,1-5H3
InChIKeyXMZIMYWBPCORRP-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.26
Rot. Bonds5

About 1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol

1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol (PubChem CID 114636611) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol
PubChem CID114636611
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol
SMILESCOc1cnn(C)c1C(C)(O)C(OC)OC
InChIInChI=1S/C10H18N2O4/c1-10(13,9(15-4)16-5)8-7(14-3)6-11-12(8)2/h6,9,13H,1-5H3
InChIKeyXMZIMYWBPCORRP-UHFFFAOYSA-N
XLogP0.26
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol
CID 114633592
4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol
CID 114636581
2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)propanal
CID 114636624
4-[1-hydroxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]benzonitrile
CID 114637601
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
1-cyclopropyl-2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114637080
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
CID 103449219
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
CID 114637495
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1,1-dimethoxypropan-2-ol
CID 114636618
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
3-hydroxy-3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butanal
CID 114636600
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol?
The IUPAC name of 1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol (CID 114636611) is 1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol is COc1cnn(C)c1C(C)(O)C(OC)OC.
What is the InChIKey of 1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol?
The InChIKey is XMZIMYWBPCORRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(13,9(15-4)16-5)8-7(14-3)6-11-12(8)2/h6,9,13H,1-5H3.
What are the key properties of 1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol?
1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol has a molecular weight of 230.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 114636611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).