4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one

C24H17N7O — CID 72545159

IUPAC4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3cccc(-c4nn[nH]n4)c3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C24H17N7O/c1-30-22-14-20(15-6-3-2-4-7-15)27-31(22)21-13-17(10-11-19(21)24(30)32)16-8-5-9-18(12-16)23-25-28-29-26-23/h2-14H,1H3,(H,25,26,28,29)
InChIKeyWBLLXMKCCGIDQW-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.70
Rot. Bonds3

About 4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one

4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 72545159) has the molecular formula C24H17N7O and a molecular weight of 419.45 g/mol. Its IUPAC name is 4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one
PubChem CID72545159
Molecular FormulaC24H17N7O
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC Name4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3cccc(-c4nn[nH]n4)c3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C24H17N7O/c1-30-22-14-20(15-6-3-2-4-7-15)27-31(22)21-13-17(10-11-19(21)24(30)32)16-8-5-9-18(12-16)23-25-28-29-26-23/h2-14H,1H3,(H,25,26,28,29)
InChIKeyWBLLXMKCCGIDQW-UHFFFAOYSA-N
XLogP3.70
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one (CID 72545159) is 4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccc(-c3cccc(-c4nn[nH]n4)c3)cc2n2nc(-c3ccccc3)cc12.
What is the InChIKey of 4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is WBLLXMKCCGIDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O/c1-30-22-14-20(15-6-3-2-4-7-15)27-31(22)21-13-17(10-11-19(21)24(30)32)16-8-5-9-18(12-16)23-25-28-29-26-23/h2-14H,1H3,(H,25,26,28,29).
What are the key properties of 4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one?
4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 419.45 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 72545159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).