3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one

C10H12N4O — CID 136812319

IUPAC3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one
SMILESCc1c(-c2c[nH]ccc2=O)nn(C)c1N
InChIInChI=1S/C10H12N4O/c1-6-9(13-14(2)10(6)11)7-5-12-4-3-8(7)15/h3-5H,11H2,1-2H3,(H,12,15)
InChIKeySVIKJPMKSDGOMW-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.67
Rot. Bonds1

About 3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one

3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one (PubChem CID 136812319) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one
PubChem CID136812319
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one
SMILESCc1c(-c2c[nH]ccc2=O)nn(C)c1N
InChIInChI=1S/C10H12N4O/c1-6-9(13-14(2)10(6)11)7-5-12-4-3-8(7)15/h3-5H,11H2,1-2H3,(H,12,15)
InChIKeySVIKJPMKSDGOMW-UHFFFAOYSA-N
XLogP0.67
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one?
The IUPAC name of 3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one (CID 136812319) is 3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one?
The canonical SMILES for 3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one is Cc1c(-c2c[nH]ccc2=O)nn(C)c1N.
What is the InChIKey of 3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one?
The InChIKey is SVIKJPMKSDGOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-9(13-14(2)10(6)11)7-5-12-4-3-8(7)15/h3-5H,11H2,1-2H3,(H,12,15).
What are the key properties of 3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one?
3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one has a molecular weight of 204.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one is sourced from PubChem (CID 136812319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).