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

C9H9N3O — CID 58200410

IUPAC2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccccn2)cc1=O
InChIInChI=1S/C9H9N3O/c1-12-9(13)6-8(11-12)7-4-2-3-5-10-7/h2-6,11H,1H3
InChIKeyUIRZPBIVSUDSBN-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.78
Rot. Bonds1

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

2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 58200410) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID58200410
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccccn2)cc1=O
InChIInChI=1S/C9H9N3O/c1-12-9(13)6-8(11-12)7-4-2-3-5-10-7/h2-6,11H,1H3
InChIKeyUIRZPBIVSUDSBN-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-5-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one (CID 58200410) is 2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one is Cn1[nH]c(-c2ccccn2)cc1=O.
What is the InChIKey of 2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is UIRZPBIVSUDSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-9(13)6-8(11-12)7-4-2-3-5-10-7/h2-6,11H,1H3.
What are the key properties of 2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one?
2-methyl-5-pyridin-2-yl-1H-pyrazol-3-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-5-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 58200410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).