N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C19H24N4O2S — CID 50966559

IUPACN-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)SCC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1
InChIInChI=1S/C19H24N4O2S/c1-14(2)26-13-18(24)22-9-6-10-23-16(12-22)11-17(21-23)19(25)20-15-7-4-3-5-8-15/h3-5,7-8,11,14H,6,9-10,12-13H2,1-2H3,(H,20,25)
InChIKeyCGDOZFKGHHAQJH-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.01
Rot. Bonds5

About N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50966559) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50966559
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)SCC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1
InChIInChI=1S/C19H24N4O2S/c1-14(2)26-13-18(24)22-9-6-10-23-16(12-22)11-17(21-23)19(25)20-15-7-4-3-5-8-15/h3-5,7-8,11,14H,6,9-10,12-13H2,1-2H3,(H,20,25)
InChIKeyCGDOZFKGHHAQJH-UHFFFAOYSA-N
XLogP3.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide 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 N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50966559) is N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CC(C)SCC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1.
What is the InChIKey of N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is CGDOZFKGHHAQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14(2)26-13-18(24)22-9-6-10-23-16(12-22)11-17(21-23)19(25)20-15-7-4-3-5-8-15/h3-5,7-8,11,14H,6,9-10,12-13H2,1-2H3,(H,20,25).
What are the key properties of N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-(2-propan-2-ylsulfanylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50966559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).