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

C8H14N2O2 — CID 62127498

IUPAC1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCOCC(O)Cc1cnn(C)c1
InChIInChI=1S/C8H14N2O2/c1-10-5-7(4-9-10)3-8(11)6-12-2/h4-5,8,11H,3,6H2,1-2H3
InChIKeyXRWYXFSCUHCAHJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.03
Rot. Bonds4

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

1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 62127498) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID62127498
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCOCC(O)Cc1cnn(C)c1
InChIInChI=1S/C8H14N2O2/c1-10-5-7(4-9-10)3-8(11)6-12-2/h4-5,8,11H,3,6H2,1-2H3
InChIKeyXRWYXFSCUHCAHJ-UHFFFAOYSA-N
XLogP-0.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 65091906
5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 105082767
1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 105082685
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
4-(3-chloro-4-methoxybutyl)-1-methylpyrazole
CID 62320381
2-(1-methylpyrazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115780286
1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 116712818
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol
CID 103448660

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol (CID 62127498) is 1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol is COCC(O)Cc1cnn(C)c1.
What is the InChIKey of 1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is XRWYXFSCUHCAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-10-5-7(4-9-10)3-8(11)6-12-2/h4-5,8,11H,3,6H2,1-2H3.
What are the key properties of 1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol?
1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 170.21 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 62127498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).