1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide

C15H16ClN3O3S — CID 55923834

IUPAC1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
SMILESCC1(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CCS(=O)(=O)C1
InChIInChI=1S/C15H16ClN3O3S/c1-15(6-8-23(21,22)10-15)17-14(20)13-5-7-19(18-13)12-4-2-3-11(16)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,17,20)
InChIKeyQAVZGNSGDGMNIB-UHFFFAOYSA-N
MW353.83 g/mol
LogP1.83
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide (PubChem CID 55923834) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
PubChem CID55923834
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
SMILESCC1(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CCS(=O)(=O)C1
InChIInChI=1S/C15H16ClN3O3S/c1-15(6-8-23(21,22)10-15)17-14(20)13-5-7-19(18-13)12-4-2-3-11(16)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,17,20)
InChIKeyQAVZGNSGDGMNIB-UHFFFAOYSA-N
XLogP1.83
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-phenylpyrazole-3-carboxamide
CID 119032239
6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 62240532
1-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700613
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 51146174
2-[(3-chlorophenyl)methylsulfanyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 94332857
2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide
CID 51205742
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7818825
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 94014684
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 43020385

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide (CID 55923834) is 1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide is CC1(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CCS(=O)(=O)C1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The InChIKey is QAVZGNSGDGMNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-15(6-8-23(21,22)10-15)17-14(20)13-5-7-19(18-13)12-4-2-3-11(16)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,17,20).
What are the key properties of 1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 55923834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).