2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one

C19H17N3O — CID 155934961

IUPAC2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one
SMILESCc1ccc(-c2cc3n(n2)C(=O)N(c2ccc(C)cc2)C3)cc1
InChIInChI=1S/C19H17N3O/c1-13-3-7-15(8-4-13)18-11-17-12-21(19(23)22(17)20-18)16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3
InChIKeyJHLSNGDTMLUZQL-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.16
Rot. Bonds2

About 2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one

2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one (PubChem CID 155934961) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one.

Molecular Properties

Compound Name2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one
PubChem CID155934961
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one
SMILESCc1ccc(-c2cc3n(n2)C(=O)N(c2ccc(C)cc2)C3)cc1
InChIInChI=1S/C19H17N3O/c1-13-3-7-15(8-4-13)18-11-17-12-21(19(23)22(17)20-18)16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3
InChIKeyJHLSNGDTMLUZQL-UHFFFAOYSA-N
XLogP4.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one?
The IUPAC name of 2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one (CID 155934961) is 2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one.
What is the SMILES notation for 2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one?
The canonical SMILES for 2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one is Cc1ccc(-c2cc3n(n2)C(=O)N(c2ccc(C)cc2)C3)cc1.
What is the InChIKey of 2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one?
The InChIKey is JHLSNGDTMLUZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-3-7-15(8-4-13)18-11-17-12-21(19(23)22(17)20-18)16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3.
What are the key properties of 2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one?
2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one has a molecular weight of 303.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one is sourced from PubChem (CID 155934961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).