2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one

C15H14N4O — CID 104846045

IUPAC2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one
SMILESCC1C(=O)N(c2ccc(N)cn2)N=C1c1ccccc1
InChIInChI=1S/C15H14N4O/c1-10-14(11-5-3-2-4-6-11)18-19(15(10)20)13-8-7-12(16)9-17-13/h2-10H,16H2,1H3
InChIKeyZRSRNCYMXXIJKK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.05
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one

2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one (PubChem CID 104846045) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one
PubChem CID104846045
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one
SMILESCC1C(=O)N(c2ccc(N)cn2)N=C1c1ccccc1
InChIInChI=1S/C15H14N4O/c1-10-14(11-5-3-2-4-6-11)18-19(15(10)20)13-8-7-12(16)9-17-13/h2-10H,16H2,1H3
InChIKeyZRSRNCYMXXIJKK-UHFFFAOYSA-N
XLogP2.05
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one?
The IUPAC name of 2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one (CID 104846045) is 2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one is CC1C(=O)N(c2ccc(N)cn2)N=C1c1ccccc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one?
The InChIKey is ZRSRNCYMXXIJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-14(11-5-3-2-4-6-11)18-19(15(10)20)13-8-7-12(16)9-17-13/h2-10H,16H2,1H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one?
2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one has a molecular weight of 266.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 104846045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).