4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide

C11H11ClN4O — CID 612918

IUPAC4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C11H11ClN4O/c12-10-5-14-16(7-10)6-8-1-3-9(4-2-8)11(17)15-13/h1-5,7H,6,13H2,(H,15,17)
InChIKeyGVGPODSRQYHTNM-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.19
Rot. Bonds3

About 4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide

4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide (PubChem CID 612918) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide
PubChem CID612918
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C11H11ClN4O/c12-10-5-14-16(7-10)6-8-1-3-9(4-2-8)11(17)15-13/h1-5,7H,6,13H2,(H,15,17)
InChIKeyGVGPODSRQYHTNM-UHFFFAOYSA-N
XLogP1.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.19
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 4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide (CID 612918) is 4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide is NNC(=O)c1ccc(Cn2cc(Cl)cn2)cc1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide?
The InChIKey is GVGPODSRQYHTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-10-5-14-16(7-10)6-8-1-3-9(4-2-8)11(17)15-13/h1-5,7H,6,13H2,(H,15,17).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide?
4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide has a molecular weight of 250.69 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 612918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).