4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide

C12H9N3O2S — CID 166228868

IUPAC4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1cc(O)c2ccsc2c1
InChIInChI=1S/C12H9N3O2S/c16-10-3-7(4-11-9(10)1-2-18-11)12(17)15-8-5-13-14-6-8/h1-6,16H,(H,13,14)(H,15,17)
InChIKeyAXXRJTVLPIXVEW-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.58
Rot. Bonds2

About 4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide

4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide (PubChem CID 166228868) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide
PubChem CID166228868
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1cc(O)c2ccsc2c1
InChIInChI=1S/C12H9N3O2S/c16-10-3-7(4-11-9(10)1-2-18-11)12(17)15-8-5-13-14-6-8/h1-6,16H,(H,13,14)(H,15,17)
InChIKeyAXXRJTVLPIXVEW-UHFFFAOYSA-N
XLogP2.58
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-pyrazol-4-yl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 166222045
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
3-hydroxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 43540289
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
2-amino-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 62154464
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 20784957
6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 66462687
2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide
CID 106852624
3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43539715

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide?
The IUPAC name of 4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide (CID 166228868) is 4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide is O=C(Nc1cn[nH]c1)c1cc(O)c2ccsc2c1.
What is the InChIKey of 4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide?
The InChIKey is AXXRJTVLPIXVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c16-10-3-7(4-11-9(10)1-2-18-11)12(17)15-8-5-13-14-6-8/h1-6,16H,(H,13,14)(H,15,17).
What are the key properties of 4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide?
4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide has a molecular weight of 259.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-pyrazol-4-yl)-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 166228868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).