1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one

C9H9N3O — CID 131205532

IUPAC1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one
SMILESCn1cccc(-c2cn[nH]c2)c1=O
InChIInChI=1S/C9H9N3O/c1-12-4-2-3-8(9(12)13)7-5-10-11-6-7/h2-6H,1H3,(H,10,11)
InChIKeyRVDPBNBEIVDOFY-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.78
Rot. Bonds1

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

1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one (PubChem CID 131205532) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one
PubChem CID131205532
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one
SMILESCn1cccc(-c2cn[nH]c2)c1=O
InChIInChI=1S/C9H9N3O/c1-12-4-2-3-8(9(12)13)7-5-10-11-6-7/h2-6H,1H3,(H,10,11)
InChIKeyRVDPBNBEIVDOFY-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 1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one (CID 131205532) is 1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one is Cn1cccc(-c2cn[nH]c2)c1=O.
What is the InChIKey of 1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one?
The InChIKey is RVDPBNBEIVDOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-4-2-3-8(9(12)13)7-5-10-11-6-7/h2-6H,1H3,(H,10,11).
What are the key properties of 1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one?
1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-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 1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 131205532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).