2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol

C10H18N2O2 — CID 114633592

IUPAC2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol
SMILESCOc1cnn(C)c1C(C)(O)C(C)C
InChIInChI=1S/C10H18N2O2/c1-7(2)10(3,13)9-8(14-5)6-11-12(9)4/h6-7,13H,1-5H3
InChIKeyCNLBADWZIUYXEC-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.29
Rot. Bonds3

About 2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol

2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol (PubChem CID 114633592) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol
PubChem CID114633592
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol
SMILESCOc1cnn(C)c1C(C)(O)C(C)C
InChIInChI=1S/C10H18N2O2/c1-7(2)10(3,13)9-8(14-5)6-11-12(9)4/h6-7,13H,1-5H3
InChIKeyCNLBADWZIUYXEC-UHFFFAOYSA-N
XLogP1.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol
CID 114636611
2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)propanal
CID 114636624
4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol
CID 114636581
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
CID 114637495
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
4-[1-hydroxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]benzonitrile
CID 114637601
1-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114633612
1-cyclopropyl-2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114637080
4-[1-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]phenol
CID 114637997
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633338
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol?
The IUPAC name of 2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol (CID 114633592) is 2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol is COc1cnn(C)c1C(C)(O)C(C)C.
What is the InChIKey of 2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol?
The InChIKey is CNLBADWZIUYXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)10(3,13)9-8(14-5)6-11-12(9)4/h6-7,13H,1-5H3.
What are the key properties of 2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol?
2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 114633592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).