5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one

C20H17N5O2 — CID 3083662

IUPAC5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=N/C1C(=O)N(c2ccccc2)N=C1C
InChIInChI=1S/C20H17N5O2/c1-13-17(19(26)24(22-13)15-9-5-3-6-10-15)21-18-14(2)23-25(20(18)27)16-11-7-4-8-12-16/h3-12,17H,1-2H3/b21-18+
InChIKeyRDYJVCSNESZYOX-DYTRJAOYSA-N
MW359.39 g/mol
LogP2.64
Rot. Bonds3

About 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one

5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one (PubChem CID 3083662) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one
PubChem CID3083662
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=N/C1C(=O)N(c2ccccc2)N=C1C
InChIInChI=1S/C20H17N5O2/c1-13-17(19(26)24(22-13)15-9-5-3-6-10-15)21-18-14(2)23-25(20(18)27)16-11-7-4-8-12-16/h3-12,17H,1-2H3/b21-18+
InChIKeyRDYJVCSNESZYOX-DYTRJAOYSA-N
XLogP2.64
TPSA77.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one?
The IUPAC name of 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one (CID 3083662) is 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one.
What is the SMILES notation for 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one?
The canonical SMILES for 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=N/C1C(=O)N(c2ccccc2)N=C1C.
What is the InChIKey of 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one?
The InChIKey is RDYJVCSNESZYOX-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-17(19(26)24(22-13)15-9-5-3-6-10-15)21-18-14(2)23-25(20(18)27)16-11-7-4-8-12-16/h3-12,17H,1-2H3/b21-18+.
What are the key properties of 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one?
5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one has a molecular weight of 359.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one is sourced from PubChem (CID 3083662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).