1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol

C9H16N2O2 — CID 62534696

IUPAC1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCOCC(C)(O)Cc1cnn(C)c1
InChIInChI=1S/C9H16N2O2/c1-9(12,7-13-3)4-8-5-10-11(2)6-8/h5-6,12H,4,7H2,1-3H3
InChIKeyJZTOKOIHTYNJHQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.36
Rot. Bonds4

About 1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol

1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 62534696) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID62534696
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCOCC(C)(O)Cc1cnn(C)c1
InChIInChI=1S/C9H16N2O2/c1-9(12,7-13-3)4-8-5-10-11(2)6-8/h5-6,12H,4,7H2,1-3H3
InChIKeyJZTOKOIHTYNJHQ-UHFFFAOYSA-N
XLogP0.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 62127829
1-(cyclopropylamino)-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038933
3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103007100
N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62719344
4-[2-(bromomethyl)-2-methylbutyl]-1-methylpyrazole
CID 66050049
4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 106255495
2-(1-methylpyrazol-4-yl)ethane-1,1,1-tricarboxylic acid
CID 91254257
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
3,3-dimethyl-4-(1-methylpyrazol-4-yl)butanoic acid
CID 81004127
3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116746650
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol (CID 62534696) is 1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol is COCC(C)(O)Cc1cnn(C)c1.
What is the InChIKey of 1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is JZTOKOIHTYNJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(12,7-13-3)4-8-5-10-11(2)6-8/h5-6,12H,4,7H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol?
1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 184.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 62534696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).