2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one

C9H9N3O — CID 88992596

IUPAC2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one
SMILESCn1cc(-c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C9H9N3O/c1-12-6-8(9(13)11-12)7-3-2-4-10-5-7/h2-6H,1H3,(H,11,13)
InChIKeyASJQYFZPNKVUJD-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.78
Rot. Bonds1

About 2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one

2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one (PubChem CID 88992596) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one
PubChem CID88992596
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one
SMILESCn1cc(-c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C9H9N3O/c1-12-6-8(9(13)11-12)7-3-2-4-10-5-7/h2-6H,1H3,(H,11,13)
InChIKeyASJQYFZPNKVUJD-UHFFFAOYSA-N
XLogP0.78
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one?
The IUPAC name of 2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one (CID 88992596) is 2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one.
What is the SMILES notation for 2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one?
The canonical SMILES for 2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one is Cn1cc(-c2cccnc2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one?
The InChIKey is ASJQYFZPNKVUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-6-8(9(13)11-12)7-3-2-4-10-5-7/h2-6H,1H3,(H,11,13).
What are the key properties of 2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one?
2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one has a molecular weight of 175.19 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one is sourced from PubChem (CID 88992596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).