3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one

C16H16N4O — CID 136812338

IUPAC3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one
SMILESCCc1c(-c2c[nH]ccc2=O)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H16N4O/c1-2-12-15(13-10-18-9-8-14(13)21)19-20(16(12)17)11-6-4-3-5-7-11/h3-10H,2,17H2,1H3,(H,18,21)
InChIKeyWVCZGRZMCGKNHN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.37
Rot. Bonds3

About 3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one

3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one (PubChem CID 136812338) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one
PubChem CID136812338
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one
SMILESCCc1c(-c2c[nH]ccc2=O)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H16N4O/c1-2-12-15(13-10-18-9-8-14(13)21)19-20(16(12)17)11-6-4-3-5-7-11/h3-10H,2,17H2,1H3,(H,18,21)
InChIKeyWVCZGRZMCGKNHN-UHFFFAOYSA-N
XLogP2.37
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid
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CID 43336800
4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one
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3-(2,3-dimethylphenyl)-4-ethyl-1-methylpyrazol-5-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one?
The IUPAC name of 3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one (CID 136812338) is 3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one?
The canonical SMILES for 3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one is CCc1c(-c2c[nH]ccc2=O)nn(-c2ccccc2)c1N.
What is the InChIKey of 3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one?
The InChIKey is WVCZGRZMCGKNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-12-15(13-10-18-9-8-14(13)21)19-20(16(12)17)11-6-4-3-5-7-11/h3-10H,2,17H2,1H3,(H,18,21).
What are the key properties of 3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one?
3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one is sourced from PubChem (CID 136812338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).