N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide

C19H16N4OS — CID 141152678

IUPACN'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide
SMILESO=C(NN(Cc1ccccc1)c1ccccc1)c1cc2cn[nH]c2s1
InChIInChI=1S/C19H16N4OS/c24-18(17-11-15-12-20-21-19(15)25-17)22-23(16-9-5-2-6-10-16)13-14-7-3-1-4-8-14/h1-12H,13H2,(H,20,21)(H,22,24)
InChIKeyZDLKXSVIFIWACC-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.98
Rot. Bonds5

About N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide

N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide (PubChem CID 141152678) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide
PubChem CID141152678
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide
SMILESO=C(NN(Cc1ccccc1)c1ccccc1)c1cc2cn[nH]c2s1
InChIInChI=1S/C19H16N4OS/c24-18(17-11-15-12-20-21-19(15)25-17)22-23(16-9-5-2-6-10-16)13-14-7-3-1-4-8-14/h1-12H,13H2,(H,20,21)(H,22,24)
InChIKeyZDLKXSVIFIWACC-UHFFFAOYSA-N
XLogP3.98
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(1-cyanobutan-2-yl)-1H-thieno[3,2-d]pyrazole-5-carboxamide
CID 139018106
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide?
The IUPAC name of N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide (CID 141152678) is N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide?
The canonical SMILES for N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide is O=C(NN(Cc1ccccc1)c1ccccc1)c1cc2cn[nH]c2s1.
What is the InChIKey of N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide?
The InChIKey is ZDLKXSVIFIWACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-18(17-11-15-12-20-21-19(15)25-17)22-23(16-9-5-2-6-10-16)13-14-7-3-1-4-8-14/h1-12H,13H2,(H,20,21)(H,22,24).
What are the key properties of N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide?
N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide has a molecular weight of 348.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-phenyl-1H-thieno[3,2-d]pyrazole-5-carbohydrazide is sourced from PubChem (CID 141152678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).