2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide

C11H13BrN4O — CID 6612443

IUPAC2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide
SMILESNNC(=O)CC1CC(c2ccc(Br)cc2)=NN1
InChIInChI=1S/C11H13BrN4O/c12-8-3-1-7(2-4-8)10-5-9(15-16-10)6-11(17)14-13/h1-4,9,15H,5-6,13H2,(H,14,17)
InChIKeyUEPGIOVDVICRPP-UHFFFAOYSA-N
MW297.16 g/mol
LogP0.90
Rot. Bonds3

About 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide

2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide (PubChem CID 6612443) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide
PubChem CID6612443
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide
SMILESNNC(=O)CC1CC(c2ccc(Br)cc2)=NN1
InChIInChI=1S/C11H13BrN4O/c12-8-3-1-7(2-4-8)10-5-9(15-16-10)6-11(17)14-13/h1-4,9,15H,5-6,13H2,(H,14,17)
InChIKeyUEPGIOVDVICRPP-UHFFFAOYSA-N
XLogP0.90
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 50.90
H-Bond Donors ≤ 53
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 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide?
The IUPAC name of 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide (CID 6612443) is 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide?
The canonical SMILES for 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide is NNC(=O)CC1CC(c2ccc(Br)cc2)=NN1.
What is the InChIKey of 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide?
The InChIKey is UEPGIOVDVICRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c12-8-3-1-7(2-4-8)10-5-9(15-16-10)6-11(17)14-13/h1-4,9,15H,5-6,13H2,(H,14,17).
What are the key properties of 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide?
2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide has a molecular weight of 297.16 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide is sourced from PubChem (CID 6612443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).