6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide

C14H14N4O — CID 3904858

IUPAC6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1[nH]nc2c1CCC2=Cc1ccccc1
InChIInChI=1S/C14H14N4O/c15-16-14(19)13-11-7-6-10(12(11)17-18-13)8-9-4-2-1-3-5-9/h1-5,8H,6-7,15H2,(H,16,19)(H,17,18)
InChIKeyXIEWYWRCNYIOFV-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.50
Rot. Bonds2

About 6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide

6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide (PubChem CID 3904858) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide
PubChem CID3904858
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1[nH]nc2c1CCC2=Cc1ccccc1
InChIInChI=1S/C14H14N4O/c15-16-14(19)13-11-7-6-10(12(11)17-18-13)8-9-4-2-1-3-5-9/h1-5,8H,6-7,15H2,(H,16,19)(H,17,18)
InChIKeyXIEWYWRCNYIOFV-UHFFFAOYSA-N
XLogP1.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide?
The IUPAC name of 6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide (CID 3904858) is 6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide.
What is the SMILES notation for 6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide?
The canonical SMILES for 6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide is NNC(=O)c1[nH]nc2c1CCC2=Cc1ccccc1.
What is the InChIKey of 6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide?
The InChIKey is XIEWYWRCNYIOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-16-14(19)13-11-7-6-10(12(11)17-18-13)8-9-4-2-1-3-5-9/h1-5,8H,6-7,15H2,(H,16,19)(H,17,18).
What are the key properties of 6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide?
6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide has a molecular weight of 254.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylidene-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carbohydrazide is sourced from PubChem (CID 3904858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).