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

C11H11BrN4O — CID 843231

IUPAC4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C11H11BrN4O/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)
InChIKeyLZDNALYTONEHTF-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.30
Rot. Bonds3

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

4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide (PubChem CID 843231) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide
PubChem CID843231
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C11H11BrN4O/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)
InChIKeyLZDNALYTONEHTF-UHFFFAOYSA-N
XLogP1.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.30
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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Related Compounds

4-bromo-1-[(3-methylphenyl)carbonyl]-1H-pyrazole
CID 674653
3-((4-Bromo-3-nitro-1H-pyrazol-1-yl)methyl)benzoic acid hydrazide
CID 843258
4-bromo-1-[(2-methylphenyl)carbonyl]-1H-pyrazole
CID 674650
4-bromo-1-[(4-methylphenyl)carbonyl]-1H-pyrazole
CID 674656
4-[(3-amino-4-bromo-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 919980
1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide
CID 1488097
4-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 612918
Benzamide, 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)-
CID 993965
4-((1H-pyrazol-1-yl)methyl)-N-hydroxybenzamide
CID 60164723
4-(aminomethyl)-6-(1-ethylpyrazol-4-yl)-2H-phthalazin-1-one
CID 156151396
(4-bromo-1H-pyrazol-1-yl)(2,6-difluorophenyl)methanone
CID 674642
N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 5410782

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide (CID 843231) is 4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide is NNC(=O)c1ccc(Cn2cc(Br)cn2)cc1.
What is the InChIKey of 4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide?
The InChIKey is LZDNALYTONEHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/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-bromopyrazol-1-yl)methyl]benzohydrazide?
4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide has a molecular weight of 295.14 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromopyrazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 843231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).