3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide

C17H19N3O3S — CID 27710537

IUPAC3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C17H19N3O3S/c21-17(18-13-8-9-24(22,23)11-13)16-10-15(12-6-7-12)19-20(16)14-4-2-1-3-5-14/h1-5,10,12-13H,6-9,11H2,(H,18,21)/t13-/m1/s1
InChIKeySZLOYISMSHMXIY-CYBMUJFWSA-N
MW345.42 g/mol
LogP1.67
Rot. Bonds4

About 3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide (PubChem CID 27710537) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide
PubChem CID27710537
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C17H19N3O3S/c21-17(18-13-8-9-24(22,23)11-13)16-10-15(12-6-7-12)19-20(16)14-4-2-1-3-5-14/h1-5,10,12-13H,6-9,11H2,(H,18,21)/t13-/m1/s1
InChIKeySZLOYISMSHMXIY-CYBMUJFWSA-N
XLogP1.67
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-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

3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
5-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 95159383
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 96556888
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 31482999
3-cyclopropyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 43024528
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
3-cyclopropyl-1-phenyl-N-(3-phenylmethoxypropyl)pyrazole-5-carboxamide
CID 41365797
3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 71709246
N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 26768615

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide (CID 27710537) is 3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is SZLOYISMSHMXIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17(18-13-8-9-24(22,23)11-13)16-10-15(12-6-7-12)19-20(16)14-4-2-1-3-5-14/h1-5,10,12-13H,6-9,11H2,(H,18,21)/t13-/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 27710537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).