[5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone

C15H13N3O3S2 — CID 91871233

IUPAC[5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone
SMILESCS(=O)(=O)c1ccc(-n2ncc(C(=O)c3cccs3)c2N)cc1
InChIInChI=1S/C15H13N3O3S2/c1-23(20,21)11-6-4-10(5-7-11)18-15(16)12(9-17-18)14(19)13-3-2-8-22-13/h2-9H,16H2,1H3
InChIKeyYIVKWDDSQGNNAH-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.15
Rot. Bonds4

About [5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone

[5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone (PubChem CID 91871233) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone
PubChem CID91871233
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name[5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone
SMILESCS(=O)(=O)c1ccc(-n2ncc(C(=O)c3cccs3)c2N)cc1
InChIInChI=1S/C15H13N3O3S2/c1-23(20,21)11-6-4-10(5-7-11)18-15(16)12(9-17-18)14(19)13-3-2-8-22-13/h2-9H,16H2,1H3
InChIKeyYIVKWDDSQGNNAH-UHFFFAOYSA-N
XLogP2.15
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone (CID 91871233) is [5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone is CS(=O)(=O)c1ccc(-n2ncc(C(=O)c3cccs3)c2N)cc1.
What is the InChIKey of [5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone?
The InChIKey is YIVKWDDSQGNNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-23(20,21)11-6-4-10(5-7-11)18-15(16)12(9-17-18)14(19)13-3-2-8-22-13/h2-9H,16H2,1H3.
What are the key properties of [5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone?
[5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 91871233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).