2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

C24H21N3 — CID 4071688

IUPAC2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1ccc(-c3ccccc3)cc1)Nc1c(C)cccc1-2
InChIInChI=1S/C24H21N3/c1-16-7-6-10-21-22-15-17(2)26-27(22)24(25-23(16)21)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-15,24-25H,1-2H3
InChIKeyROIBEUVQORPLRJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.81
Rot. Bonds2

About 2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 4071688) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID4071688
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1ccc(-c3ccccc3)cc1)Nc1c(C)cccc1-2
InChIInChI=1S/C24H21N3/c1-16-7-6-10-21-22-15-17(2)26-27(22)24(25-23(16)21)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-15,24-25H,1-2H3
InChIKeyROIBEUVQORPLRJ-UHFFFAOYSA-N
XLogP5.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 4071688) is 2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(c1ccc(-c3ccccc3)cc1)Nc1c(C)cccc1-2.
What is the InChIKey of 2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is ROIBEUVQORPLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-16-7-6-10-21-22-15-17(2)26-27(22)24(25-23(16)21)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-15,24-25H,1-2H3.
What are the key properties of 2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 351.45 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 4071688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).