1-methyl-3-pyridin-4-ylpyrazol-4-ol

C9H9N3O — CID 54584611

IUPAC1-methyl-3-pyridin-4-ylpyrazol-4-ol
SMILESCn1cc(O)c(-c2ccncc2)n1
InChIInChI=1S/C9H9N3O/c1-12-6-8(13)9(11-12)7-2-4-10-5-3-7/h2-6,13H,1H3
InChIKeyODYJPJVQXWRZBC-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.19
Rot. Bonds1

About 1-methyl-3-pyridin-4-ylpyrazol-4-ol

1-methyl-3-pyridin-4-ylpyrazol-4-ol (PubChem CID 54584611) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-methyl-3-pyridin-4-ylpyrazol-4-ol.

Molecular Properties

Compound Name1-methyl-3-pyridin-4-ylpyrazol-4-ol
PubChem CID54584611
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-methyl-3-pyridin-4-ylpyrazol-4-ol
SMILESCn1cc(O)c(-c2ccncc2)n1
InChIInChI=1S/C9H9N3O/c1-12-6-8(13)9(11-12)7-2-4-10-5-3-7/h2-6,13H,1H3
InChIKeyODYJPJVQXWRZBC-UHFFFAOYSA-N
XLogP1.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-Methyl-3-phenylpyrazol-5-yl)methyl]pyridin-3-ol
CID 145980859
US11365192, Example 1-3
CID 156323803
Pyrazolo[1,5-a]pyridin-3-ol
CID 15257903
6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-ol
CID 58126363
6-(1,1-difluoro-2-(1H-pyrazol-1-yl)ethyl)pyridin-3-ol
CID 138991109
6,7-Dimethylpyrazolo(1,5-a)pyridin-3-ol
CID 154577509
6,7-Dimethylpyrazolo[1,5-a]pyridin-4-ol
CID 155820862
3-Methyl-1-phenylpyrazol-4-ol
CID 19072556
1-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-4-ol
CID 15026173
2-(2-Fluoro-4-methylphenyl)-6-(1-methylpyrazol-4-yl)pyridin-3-ol
CID 91521092
4-Methyl-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridin-6-ol
CID 130229838
6-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridin-3-ol
CID 137183405

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-4-ylpyrazol-4-ol?
The IUPAC name of 1-methyl-3-pyridin-4-ylpyrazol-4-ol (CID 54584611) is 1-methyl-3-pyridin-4-ylpyrazol-4-ol.
What is the SMILES notation for 1-methyl-3-pyridin-4-ylpyrazol-4-ol?
The canonical SMILES for 1-methyl-3-pyridin-4-ylpyrazol-4-ol is Cn1cc(O)c(-c2ccncc2)n1.
What is the InChIKey of 1-methyl-3-pyridin-4-ylpyrazol-4-ol?
The InChIKey is ODYJPJVQXWRZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-6-8(13)9(11-12)7-2-4-10-5-3-7/h2-6,13H,1H3.
What are the key properties of 1-methyl-3-pyridin-4-ylpyrazol-4-ol?
1-methyl-3-pyridin-4-ylpyrazol-4-ol has a molecular weight of 175.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-4-ylpyrazol-4-ol is sourced from PubChem (CID 54584611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).