N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide

C16H19N3O4S — CID 18089284

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide
SMILESCc1c(NC(=O)C2CCS(=O)(=O)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H19N3O4S/c1-11-14(17-15(20)12-8-9-24(22,23)10-12)16(21)19(18(11)2)13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3,(H,17,20)
InChIKeyTZUQOPPVYUAQTN-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.86
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 18089284) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide
PubChem CID18089284
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide
SMILESCc1c(NC(=O)C2CCS(=O)(=O)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H19N3O4S/c1-11-14(17-15(20)12-8-9-24(22,23)10-12)16(21)19(18(11)2)13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3,(H,17,20)
InChIKeyTZUQOPPVYUAQTN-UHFFFAOYSA-N
XLogP0.86
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 119261452
(2S,4S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methylpiperidine-4-carboxamide
CID 120615912
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860913
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-2-carboxamide
CID 119669112
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxopiperidine-3-carboxamide
CID 664928
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzamide
CID 41324581
(3S)-1-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 39877381
(1S,2S,3S,4R)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11922596
(1S,2S,3R,4S)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 18558035
1-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 2321919
(1R,2S,3S,4S)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 1279767
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969735

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide (CID 18089284) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide is Cc1c(NC(=O)C2CCS(=O)(=O)C2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is TZUQOPPVYUAQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11-14(17-15(20)12-8-9-24(22,23)10-12)16(21)19(18(11)2)13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3,(H,17,20).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 18089284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).