N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide

C22H15N3OS2 — CID 11223352

IUPACN-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc2ccsc2s1
InChIInChI=1S/C22H15N3OS2/c26-21(19-13-16-11-12-27-22(16)28-19)23-20-14-18(15-7-3-1-4-8-15)24-25(20)17-9-5-2-6-10-17/h1-14H,(H,23,26)
InChIKeyIKLHHFDCLXWALF-UHFFFAOYSA-N
MW401.52 g/mol
LogP6.07
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide

N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide (PubChem CID 11223352) has the molecular formula C22H15N3OS2 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide
PubChem CID11223352
Molecular FormulaC22H15N3OS2
Molecular Weight401.52 g/mol
Exact Mass401.07
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc2ccsc2s1
InChIInChI=1S/C22H15N3OS2/c26-21(19-13-16-11-12-27-22(16)28-19)23-20-14-18(15-7-3-1-4-8-15)24-25(20)17-9-5-2-6-10-17/h1-14H,(H,23,26)
InChIKeyIKLHHFDCLXWALF-UHFFFAOYSA-N
XLogP6.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.52
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-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

N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 11473880
N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
CID 11383259
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4781966
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134796816
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 4844074
N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 30194136
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
CID 71812409
2-(dimethylamino)-N-(1,3-diphenylpyrazol-5-yl)propanamide;hydron;chloride
CID 67108596

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide (CID 11223352) is N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc2ccsc2s1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide?
The InChIKey is IKLHHFDCLXWALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS2/c26-21(19-13-16-11-12-27-22(16)28-19)23-20-14-18(15-7-3-1-4-8-15)24-25(20)17-9-5-2-6-10-17/h1-14H,(H,23,26).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide?
N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide has a molecular weight of 401.52 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide is sourced from PubChem (CID 11223352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).