3-(pyrazol-1-ylmethyl)benzohydrazide

C11H12N4O — CID 725084

IUPAC3-(pyrazol-1-ylmethyl)benzohydrazide
SMILESNNC(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C11H12N4O/c12-14-11(16)10-4-1-3-9(7-10)8-15-6-2-5-13-15/h1-7H,8,12H2,(H,14,16)
InChIKeyPSAGHLCDYDAZJV-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.53
Rot. Bonds3

About 3-(pyrazol-1-ylmethyl)benzohydrazide

3-(pyrazol-1-ylmethyl)benzohydrazide (PubChem CID 725084) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(pyrazol-1-ylmethyl)benzohydrazide.

Molecular Properties

Compound Name3-(pyrazol-1-ylmethyl)benzohydrazide
PubChem CID725084
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(pyrazol-1-ylmethyl)benzohydrazide
SMILESNNC(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C11H12N4O/c12-14-11(16)10-4-1-3-9(7-10)8-15-6-2-5-13-15/h1-7H,8,12H2,(H,14,16)
InChIKeyPSAGHLCDYDAZJV-UHFFFAOYSA-N
XLogP0.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(pyrazol-1-ylmethyl)benzohydrazide?
The IUPAC name of 3-(pyrazol-1-ylmethyl)benzohydrazide (CID 725084) is 3-(pyrazol-1-ylmethyl)benzohydrazide.
What is the SMILES notation for 3-(pyrazol-1-ylmethyl)benzohydrazide?
The canonical SMILES for 3-(pyrazol-1-ylmethyl)benzohydrazide is NNC(=O)c1cccc(Cn2cccn2)c1.
What is the InChIKey of 3-(pyrazol-1-ylmethyl)benzohydrazide?
The InChIKey is PSAGHLCDYDAZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-14-11(16)10-4-1-3-9(7-10)8-15-6-2-5-13-15/h1-7H,8,12H2,(H,14,16).
What are the key properties of 3-(pyrazol-1-ylmethyl)benzohydrazide?
3-(pyrazol-1-ylmethyl)benzohydrazide has a molecular weight of 216.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazol-1-ylmethyl)benzohydrazide is sourced from PubChem (CID 725084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).