1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

C18H16N6OS — CID 2949820

IUPAC1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C18H16N6OS/c25-17(24-16(11-12-19-24)14-7-3-1-4-8-14)13-26-18-20-21-22-23(18)15-9-5-2-6-10-15/h1-10,12,16H,11,13H2
InChIKeyAZYSIQBDJWJYDD-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.71
Rot. Bonds5

About 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (PubChem CID 2949820) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
PubChem CID2949820
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C18H16N6OS/c25-17(24-16(11-12-19-24)14-7-3-1-4-8-14)13-26-18-20-21-22-23(18)15-9-5-2-6-10-15/h1-10,12,16H,11,13H2
InChIKeyAZYSIQBDJWJYDD-UHFFFAOYSA-N
XLogP2.71
TPSA76.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone 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-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CID 2949820) is 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is O=C(CSc1nnnn1-c1ccccc1)N1N=CCC1c1ccccc1.
What is the InChIKey of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The InChIKey is AZYSIQBDJWJYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c25-17(24-16(11-12-19-24)14-7-3-1-4-8-14)13-26-18-20-21-22-23(18)15-9-5-2-6-10-15/h1-10,12,16H,11,13H2.
What are the key properties of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone has a molecular weight of 364.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 2949820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).