N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide

C15H17N3O3S — CID 60511818

IUPACN-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H17N3O3S/c19-15(17-12-6-8-22(20,21)9-7-12)13-10-16-18-14(13)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,16,18)(H,17,19)
InChIKeyZSIRCLBBZMZRHD-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.38
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide

N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 60511818) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID60511818
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H17N3O3S/c19-15(17-12-6-8-22(20,21)9-7-12)13-10-16-18-14(13)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,16,18)(H,17,19)
InChIKeyZSIRCLBBZMZRHD-UHFFFAOYSA-N
XLogP1.38
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460
N-(4-aminocyclohexyl)-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119475103
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824219
5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide
CID 71824533
5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 24595329
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 62518947
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 80712390
N-cyclopentyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824156

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide (CID 60511818) is N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide is O=C(NC1CCS(=O)(=O)CC1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZSIRCLBBZMZRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-15(17-12-6-8-22(20,21)9-7-12)13-10-16-18-14(13)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,16,18)(H,17,19).
What are the key properties of N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60511818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).