4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol

C10H18N2O2 — CID 62127829

IUPAC4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCOCCC(C)(O)Cc1cnn(C)c1
InChIInChI=1S/C10H18N2O2/c1-10(13,4-5-14-3)6-9-7-11-12(2)8-9/h7-8,13H,4-6H2,1-3H3
InChIKeyCQZHMGVYAUYYDP-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.75
Rot. Bonds5

About 4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol

4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol (PubChem CID 62127829) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol
PubChem CID62127829
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCOCCC(C)(O)Cc1cnn(C)c1
InChIInChI=1S/C10H18N2O2/c1-10(13,4-5-14-3)6-9-7-11-12(2)8-9/h7-8,13H,4-6H2,1-3H3
InChIKeyCQZHMGVYAUYYDP-UHFFFAOYSA-N
XLogP0.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62534696
4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 106255495
4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107045742
1-(cyclopropylamino)-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038933
N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62719344
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62127498
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
2-(1-methylpyrazol-4-yl)ethane-1,1,1-tricarboxylic acid
CID 91254257
5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 65091906
3,3-dimethyl-4-(1-methylpyrazol-4-yl)butanoic acid
CID 81004127

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol (CID 62127829) is 4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol is COCCC(C)(O)Cc1cnn(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol?
The InChIKey is CQZHMGVYAUYYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(13,4-5-14-3)6-9-7-11-12(2)8-9/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol?
4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 62127829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).