N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide

C15H12N4OS — CID 831800

IUPACN-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(NN=Cc1cn[nH]c1-c1ccccc1)c1cccs1
InChIInChI=1S/C15H12N4OS/c20-15(13-7-4-8-21-13)19-17-10-12-9-16-18-14(12)11-5-2-1-3-6-11/h1-10H,(H,16,18)(H,19,20)
InChIKeyGTMDXSHLVKKCDT-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.90
Rot. Bonds4

About N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide

N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide (PubChem CID 831800) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
PubChem CID831800
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(NN=Cc1cn[nH]c1-c1ccccc1)c1cccs1
InChIInChI=1S/C15H12N4OS/c20-15(13-7-4-8-21-13)19-17-10-12-9-16-18-14(12)11-5-2-1-3-6-11/h1-10H,(H,16,18)(H,19,20)
InChIKeyGTMDXSHLVKKCDT-UHFFFAOYSA-N
XLogP2.90
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 737231
N'-[(E)-2-thienylmethylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 5720647
4-ethyl-N'-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene}-5-methyl-3-thiophenecarbohydrazide
CID 135521407
3-(5-methylthiophen-2-yl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide
CID 6864525
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6866405
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6867567
3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide
CID 118715042
5-methyl-N'-[(3-phenyl-1H-pyrazol-4-yl)methylene]-3-thiophenecarbohydrazide
CID 135401430
N'-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2-thiophenecarbohydrazide
CID 135521503
N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-1-benzothiophene-3-carbohydrazide
CID 5412237
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-benzothiophene-3-carbohydrazide
CID 5412248
[4-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24792095

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide (CID 831800) is N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide is O=C(NN=Cc1cn[nH]c1-c1ccccc1)c1cccs1.
What is the InChIKey of N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is GTMDXSHLVKKCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-15(13-7-4-8-21-13)19-17-10-12-9-16-18-14(12)11-5-2-1-3-6-11/h1-10H,(H,16,18)(H,19,20).
What are the key properties of N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide?
N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 831800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).