3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one

C16H16N4O — CID 136812360

IUPAC3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one
SMILESCc1ccc(-c2c(-c3c[nH]ccc3=O)nn(C)c2N)cc1
InChIInChI=1S/C16H16N4O/c1-10-3-5-11(6-4-10)14-15(19-20(2)16(14)17)12-9-18-8-7-13(12)21/h3-9H,17H2,1-2H3,(H,18,21)
InChIKeyOKDVIEWGXGHDHC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.33
Rot. Bonds2

About 3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one

3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one (PubChem CID 136812360) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one
PubChem CID136812360
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one
SMILESCc1ccc(-c2c(-c3c[nH]ccc3=O)nn(C)c2N)cc1
InChIInChI=1S/C16H16N4O/c1-10-3-5-11(6-4-10)14-15(19-20(2)16(14)17)12-9-18-8-7-13(12)21/h3-9H,17H2,1-2H3,(H,18,21)
InChIKeyOKDVIEWGXGHDHC-UHFFFAOYSA-N
XLogP2.33
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.33
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-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one?
The IUPAC name of 3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one (CID 136812360) is 3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one?
The canonical SMILES for 3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one is Cc1ccc(-c2c(-c3c[nH]ccc3=O)nn(C)c2N)cc1.
What is the InChIKey of 3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one?
The InChIKey is OKDVIEWGXGHDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-3-5-11(6-4-10)14-15(19-20(2)16(14)17)12-9-18-8-7-13(12)21/h3-9H,17H2,1-2H3,(H,18,21).
What are the key properties of 3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one?
3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one is sourced from PubChem (CID 136812360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).