1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol

C9H16N2O2 — CID 103130179

IUPAC1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol
SMILESCCC(O)(COC)c1ccn(C)n1
InChIInChI=1S/C9H16N2O2/c1-4-9(12,7-13-3)8-5-6-11(2)10-8/h5-6,12H,4,7H2,1-3H3
InChIKeyGGILGHZOEBAVER-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.66
Rot. Bonds4

About 1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol

1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol (PubChem CID 103130179) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol
PubChem CID103130179
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol
SMILESCCC(O)(COC)c1ccn(C)n1
InChIInChI=1S/C9H16N2O2/c1-4-9(12,7-13-3)8-5-6-11(2)10-8/h5-6,12H,4,7H2,1-3H3
InChIKeyGGILGHZOEBAVER-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol
CID 103130270
2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol
CID 130529005
2-hydroxy-2-(1-methylpyrazol-3-yl)propanal
CID 103130216
1-cyclopropyl-2-(1-methylpyrazol-3-yl)propan-2-ol
CID 103130333
2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
CID 104737591
(1S)-1-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanol
CID 124638248
ethyl 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pent-2-enoate
CID 140802765
2-(1-methylpyrazol-3-yl)-2-nitropropan-1-ol
CID 118318131
ethyl 2-methoxyimino-2-(1-methylpyrazol-3-yl)acetate
CID 54252092
3-(4-chloro-2-methylpentan-2-yl)-1-methylpyrazole
CID 103131988
2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine
CID 103132884
1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 103130169

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol (CID 103130179) is 1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol is CCC(O)(COC)c1ccn(C)n1.
What is the InChIKey of 1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is GGILGHZOEBAVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-9(12,7-13-3)8-5-6-11(2)10-8/h5-6,12H,4,7H2,1-3H3.
What are the key properties of 1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol?
1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 184.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103130179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).