N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide

C15H11N3O3S — CID 10519242

IUPACN-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn(C(=O)c2cccs2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H11N3O3S/c19-13(10-5-2-1-3-6-10)16-11-9-18(17-14(11)20)15(21)12-7-4-8-22-12/h1-9H,(H,16,19)(H,17,20)
InChIKeyADPNVGJVKUEJCY-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.18
Rot. Bonds3

About N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide

N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide (PubChem CID 10519242) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide
PubChem CID10519242
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC NameN-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn(C(=O)c2cccs2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H11N3O3S/c19-13(10-5-2-1-3-6-10)16-11-9-18(17-14(11)20)15(21)12-7-4-8-22-12/h1-9H,(H,16,19)(H,17,20)
InChIKeyADPNVGJVKUEJCY-UHFFFAOYSA-N
XLogP2.18
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10804705
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benzamido thiophene-2-carboxylate
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CID 3666932
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
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2-benzoyl-4-methyl-1H-pyrazol-5-one
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N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 18115079
4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide
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CID 652985
N-[2-(methylamino)phenyl]benzamide
CID 101444547

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide (CID 10519242) is N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide is O=C(Nc1cn(C(=O)c2cccs2)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is ADPNVGJVKUEJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-13(10-5-2-1-3-6-10)16-11-9-18(17-14(11)20)15(21)12-7-4-8-22-12/h1-9H,(H,16,19)(H,17,20).
What are the key properties of N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide?
N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 313.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 10519242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).