5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one

C9H9N3O — CID 14050882

IUPAC5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccncc2)C(=O)C1
InChIInChI=1S/C9H9N3O/c1-7-6-9(13)12(11-7)8-2-4-10-5-3-8/h2-5H,6H2,1H3
InChIKeyYSMLZDQGVXJJSJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.19
Rot. Bonds1

About 5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one

5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one (PubChem CID 14050882) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one
PubChem CID14050882
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccncc2)C(=O)C1
InChIInChI=1S/C9H9N3O/c1-7-6-9(13)12(11-7)8-2-4-10-5-3-8/h2-5H,6H2,1H3
InChIKeyYSMLZDQGVXJJSJ-UHFFFAOYSA-N
XLogP1.19
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one (CID 14050882) is 5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one is CC1=NN(c2ccncc2)C(=O)C1.
What is the InChIKey of 5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one?
The InChIKey is YSMLZDQGVXJJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7-6-9(13)12(11-7)8-2-4-10-5-3-8/h2-5H,6H2,1H3.
What are the key properties of 5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one?
5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one has a molecular weight of 175.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one is sourced from PubChem (CID 14050882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).