4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one

C16H16N4O — CID 135355404

IUPAC4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(N)cc1=O
InChIInChI=1S/C16H16N4O/c1-19-11-14(15(17)7-16(19)21)13-8-18-20(10-13)9-12-5-3-2-4-6-12/h2-8,10-11H,9,17H2,1H3
InChIKeyRTXPXKRDNYOUPQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.88
Rot. Bonds3

About 4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one

4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one (PubChem CID 135355404) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one
PubChem CID135355404
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(N)cc1=O
InChIInChI=1S/C16H16N4O/c1-19-11-14(15(17)7-16(19)21)13-8-18-20(10-13)9-12-5-3-2-4-6-12/h2-8,10-11H,9,17H2,1H3
InChIKeyRTXPXKRDNYOUPQ-UHFFFAOYSA-N
XLogP1.88
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Ipazilide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one?
The IUPAC name of 4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one (CID 135355404) is 4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one?
The canonical SMILES for 4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(N)cc1=O.
What is the InChIKey of 4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one?
The InChIKey is RTXPXKRDNYOUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-19-11-14(15(17)7-16(19)21)13-8-18-20(10-13)9-12-5-3-2-4-6-12/h2-8,10-11H,9,17H2,1H3.
What are the key properties of 4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one?
4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one has a molecular weight of 280.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1-benzylpyrazol-4-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 135355404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).