4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one

C10H11N3O — CID 58016593

IUPAC4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1-c1cnn(C)c1
InChIInChI=1S/C10H11N3O/c1-7-3-10(14)11-5-9(7)8-4-12-13(2)6-8/h3-6H,1-2H3,(H,11,14)
InChIKeyNGNNNLHQNQGZNB-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.08
Rot. Bonds1

About 4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one

4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one (PubChem CID 58016593) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one
PubChem CID58016593
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1-c1cnn(C)c1
InChIInChI=1S/C10H11N3O/c1-7-3-10(14)11-5-9(7)8-4-12-13(2)6-8/h3-6H,1-2H3,(H,11,14)
InChIKeyNGNNNLHQNQGZNB-UHFFFAOYSA-N
XLogP1.08
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one (CID 58016593) is 4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1-c1cnn(C)c1.
What is the InChIKey of 4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one?
The InChIKey is NGNNNLHQNQGZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-3-10(14)11-5-9(7)8-4-12-13(2)6-8/h3-6H,1-2H3,(H,11,14).
What are the key properties of 4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one?
4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 58016593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).