3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide

C15H14N4OS — CID 63640244

IUPAC3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H14N4OS/c16-18-15(20)14-12(6-7-21-14)9-19-10-13(8-17-19)11-4-2-1-3-5-11/h1-8,10H,9,16H2,(H,18,20)
InChIKeyQQAISTWJQKWWPS-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.26
Rot. Bonds4

About 3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide

3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 63640244) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID63640244
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H14N4OS/c16-18-15(20)14-12(6-7-21-14)9-19-10-13(8-17-19)11-4-2-1-3-5-11/h1-8,10H,9,16H2,(H,18,20)
InChIKeyQQAISTWJQKWWPS-UHFFFAOYSA-N
XLogP2.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CID 5412174
N'-{(E)-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}pyridine-4-carbohydrazide
CID 6900173
2-fluoro-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6904822
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'-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2-thiophenecarbohydrazide
CID 9583897
1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole
CID 841465
5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 146216713
1-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)-1H-pyrazole
CID 1245419
N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-1-benzothiophene-3-carbohydrazide
CID 5412237
N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-1-benzothiophene-3-carbohydrazide
CID 5412241

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide (CID 63640244) is 3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1Cn1cc(-c2ccccc2)cn1.
What is the InChIKey of 3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is QQAISTWJQKWWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-18-15(20)14-12(6-7-21-14)9-19-10-13(8-17-19)11-4-2-1-3-5-11/h1-8,10H,9,16H2,(H,18,20).
What are the key properties of 3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide?
3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 298.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63640244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).