5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide

C13H12N2O2S — CID 50977741

IUPAC5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)CCC=C1c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H12N2O2S/c16-18(17)10-1-3-13(18)11-4-6-12(7-5-11)15-9-2-8-14-15/h2-9H,1,10H2
InChIKeyRKJLQYWQAUVNBR-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.03
Rot. Bonds2

About 5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide

5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 50977741) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID50977741
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)CCC=C1c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H12N2O2S/c16-18(17)10-1-3-13(18)11-4-6-12(7-5-11)15-9-2-8-14-15/h2-9H,1,10H2
InChIKeyRKJLQYWQAUVNBR-UHFFFAOYSA-N
XLogP2.03
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
CID 142384034
4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2738459
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-4-amine
CID 43778672
1-(4-bromophenyl)pyrazole
CID 10443564
1-[4-[(4-pyrazol-1-ylphenyl)disulfanyl]phenyl]pyrazole
CID 90924211
4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one
CID 139757385
4-pyrazol-1-ylbenzoate
CID 5158283
4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]
CID 175824114
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
1-(4-ethenylphenyl)pyrazole
CID 59449537
2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 97127127
1-(4-dibenzofuran-3-ylphenyl)pyrazole
CID 140714857

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide (CID 50977741) is 5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)CCC=C1c1ccc(-n2cccn2)cc1.
What is the InChIKey of 5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is RKJLQYWQAUVNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-18(17)10-1-3-13(18)11-4-6-12(7-5-11)15-9-2-8-14-15/h2-9H,1,10H2.
What are the key properties of 5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 260.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 50977741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).