1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone

C19H16N4OS — CID 9325672

IUPAC1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccccc12)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H16N4OS/c24-18(23-11-10-16(22-23)14-6-2-1-3-7-14)12-25-19-15-8-4-5-9-17(15)20-13-21-19/h1-9,13H,10-12H2
InChIKeyFXHFZGYEDNTPRW-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.36
Rot. Bonds4

About 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone

1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone (PubChem CID 9325672) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone
PubChem CID9325672
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccccc12)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H16N4OS/c24-18(23-11-10-16(22-23)14-6-2-1-3-7-14)12-25-19-15-8-4-5-9-17(15)20-13-21-19/h1-9,13H,10-12H2
InChIKeyFXHFZGYEDNTPRW-UHFFFAOYSA-N
XLogP3.36
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone?
The IUPAC name of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone (CID 9325672) is 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone?
The canonical SMILES for 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone is O=C(CSc1ncnc2ccccc12)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone?
The InChIKey is FXHFZGYEDNTPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-18(23-11-10-16(22-23)14-6-2-1-3-7-14)12-25-19-15-8-4-5-9-17(15)20-13-21-19/h1-9,13H,10-12H2.
What are the key properties of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone?
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone has a molecular weight of 348.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone is sourced from PubChem (CID 9325672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).