4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid

C10H10N2O2S2 — CID 79140528

IUPAC4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SCCn2cccn2)cs1
InChIInChI=1S/C10H10N2O2S2/c13-10(14)9-6-8(7-16-9)15-5-4-12-3-1-2-11-12/h1-3,6-7H,4-5H2,(H,13,14)
InChIKeyDFPMTEIZGPIPEN-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.44
Rot. Bonds5

About 4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid

4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid (PubChem CID 79140528) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid
PubChem CID79140528
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SCCn2cccn2)cs1
InChIInChI=1S/C10H10N2O2S2/c13-10(14)9-6-8(7-16-9)15-5-4-12-3-1-2-11-12/h1-3,6-7H,4-5H2,(H,13,14)
InChIKeyDFPMTEIZGPIPEN-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid
CID 79140420
4-[(1-methylimidazol-2-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79149430
4-(3,3-dimethylbutylsulfanyl)thiophene-2-carboxylic acid
CID 79149069
4-(2-bromoprop-2-enylsulfanyl)thiophene-2-carboxylic acid
CID 79149518
4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid
CID 82927723
4-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79140151
6-(2-pyrazol-1-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 54961724
4-(2-pyrazol-1-ylethylsulfanyl)aniline
CID 61491879
4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid
CID 79150013
4-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]thiophene-2-carboxylic acid
CID 79140427
4-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79132461
2-methyl-4-(2-pyrazol-1-ylethylsulfanyl)aniline
CID 79148371

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid (CID 79140528) is 4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid is O=C(O)c1cc(SCCn2cccn2)cs1.
What is the InChIKey of 4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid?
The InChIKey is DFPMTEIZGPIPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c13-10(14)9-6-8(7-16-9)15-5-4-12-3-1-2-11-12/h1-3,6-7H,4-5H2,(H,13,14).
What are the key properties of 4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid?
4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid has a molecular weight of 254.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 79140528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).