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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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).