2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one

C19H17N3O — CID 1481841

IUPAC2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1ccc(Cn2c(=O)c3ccccc3n3nc(C)cc23)cc1
InChIInChI=1S/C19H17N3O/c1-13-7-9-15(10-8-13)12-21-18-11-14(2)20-22(18)17-6-4-3-5-16(17)19(21)23/h3-11H,12H2,1-2H3
InChIKeyNEVNSOSOMJCXQN-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.31
Rot. Bonds2

About 2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one

2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 1481841) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one
PubChem CID1481841
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1ccc(Cn2c(=O)c3ccccc3n3nc(C)cc23)cc1
InChIInChI=1S/C19H17N3O/c1-13-7-9-15(10-8-13)12-21-18-11-14(2)20-22(18)17-6-4-3-5-16(17)19(21)23/h3-11H,12H2,1-2H3
InChIKeyNEVNSOSOMJCXQN-UHFFFAOYSA-N
XLogP3.31
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one (CID 1481841) is 2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one is Cc1ccc(Cn2c(=O)c3ccccc3n3nc(C)cc23)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is NEVNSOSOMJCXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-7-9-15(10-8-13)12-21-18-11-14(2)20-22(18)17-6-4-3-5-16(17)19(21)23/h3-11H,12H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one?
2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 303.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 1481841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).