4-cyano-1,5-diphenylpyrazole-3-carbohydrazide

C17H13N5O — CID 46895402

IUPAC4-cyano-1,5-diphenylpyrazole-3-carbohydrazide
SMILESN#Cc1c(C(=O)NN)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H13N5O/c18-11-14-15(17(23)20-19)21-22(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,19H2,(H,20,23)
InChIKeyLHDZBMJOSIQDTH-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.01
Rot. Bonds3

About 4-cyano-1,5-diphenylpyrazole-3-carbohydrazide

4-cyano-1,5-diphenylpyrazole-3-carbohydrazide (PubChem CID 46895402) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-cyano-1,5-diphenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-cyano-1,5-diphenylpyrazole-3-carbohydrazide
PubChem CID46895402
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name4-cyano-1,5-diphenylpyrazole-3-carbohydrazide
SMILESN#Cc1c(C(=O)NN)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H13N5O/c18-11-14-15(17(23)20-19)21-22(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,19H2,(H,20,23)
InChIKeyLHDZBMJOSIQDTH-UHFFFAOYSA-N
XLogP2.01
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.01
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 4-cyano-1,5-diphenylpyrazole-3-carbohydrazide?
The IUPAC name of 4-cyano-1,5-diphenylpyrazole-3-carbohydrazide (CID 46895402) is 4-cyano-1,5-diphenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-cyano-1,5-diphenylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-cyano-1,5-diphenylpyrazole-3-carbohydrazide is N#Cc1c(C(=O)NN)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-cyano-1,5-diphenylpyrazole-3-carbohydrazide?
The InChIKey is LHDZBMJOSIQDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-11-14-15(17(23)20-19)21-22(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,19H2,(H,20,23).
What are the key properties of 4-cyano-1,5-diphenylpyrazole-3-carbohydrazide?
4-cyano-1,5-diphenylpyrazole-3-carbohydrazide has a molecular weight of 303.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1,5-diphenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 46895402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).