4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one

C21H17N5O — CID 90013826

IUPAC4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1cc(-c2cc3n(C)c(=O)c4ccc(-c5ccccc5)cc4n3n2)cn1
InChIInChI=1S/C21H17N5O/c1-24-13-16(12-22-24)18-11-20-25(2)21(27)17-9-8-15(10-19(17)26(20)23-18)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyJFVZNKPWUBNXFV-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.25
Rot. Bonds2

About 4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one

4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90013826) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90013826
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1cc(-c2cc3n(C)c(=O)c4ccc(-c5ccccc5)cc4n3n2)cn1
InChIInChI=1S/C21H17N5O/c1-24-13-16(12-22-24)18-11-20-25(2)21(27)17-9-8-15(10-19(17)26(20)23-18)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyJFVZNKPWUBNXFV-UHFFFAOYSA-N
XLogP3.25
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one (CID 90013826) is 4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one is Cn1cc(-c2cc3n(C)c(=O)c4ccc(-c5ccccc5)cc4n3n2)cn1.
What is the InChIKey of 4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is JFVZNKPWUBNXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-24-13-16(12-22-24)18-11-20-25(2)21(27)17-9-8-15(10-19(17)26(20)23-18)14-6-4-3-5-7-14/h3-13H,1-2H3.
What are the key properties of 4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 355.40 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90013826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).