4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide

C11H12BrN5O — CID 919980

IUPAC4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cc(Br)c(N)n2)cc1
InChIInChI=1S/C11H12BrN5O/c12-9-6-17(16-10(9)13)5-7-1-3-8(4-2-7)11(18)15-14/h1-4,6H,5,14H2,(H2,13,16)(H,15,18)
InChIKeyHDUULMLYSVOZAQ-UHFFFAOYSA-N
MW310.16 g/mol
LogP0.88
Rot. Bonds3

About 4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide

4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide (PubChem CID 919980) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide
PubChem CID919980
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cc(Br)c(N)n2)cc1
InChIInChI=1S/C11H12BrN5O/c12-9-6-17(16-10(9)13)5-7-1-3-8(4-2-7)11(18)15-14/h1-4,6H,5,14H2,(H2,13,16)(H,15,18)
InChIKeyHDUULMLYSVOZAQ-UHFFFAOYSA-N
XLogP0.88
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-((4-Bromo-3-nitro-1H-pyrazol-1-yl)methyl)benzoic acid hydrazide
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CID 674656
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
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4-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 612918
N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
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4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 843231
5-amino-1-benzyl-1H-pyrazole-4-carbohydrazide
CID 781738
[4-[(4-Bromopyrazol-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 39891411
3-(4-bromobenzamido)-1-methyl-1H-pyrazole-4-carboxamide
CID 71909145
3-(1H-pyrazol-1-ylmethyl)benzohydrazide
CID 725084
(4-Bromo-1H-pyrazol-1-yl)(phenyl)methanone
CID 14041589
5-Amino-1-benzoylpyrazole-4-carbonitrile
CID 15403496

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide (CID 919980) is 4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide is NNC(=O)c1ccc(Cn2cc(Br)c(N)n2)cc1.
What is the InChIKey of 4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide?
The InChIKey is HDUULMLYSVOZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c12-9-6-17(16-10(9)13)5-7-1-3-8(4-2-7)11(18)15-14/h1-4,6H,5,14H2,(H2,13,16)(H,15,18).
What are the key properties of 4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide?
4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide has a molecular weight of 310.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-bromopyrazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 919980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).