2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide

C14H14BrFN4O2 — CID 9425057

IUPAC2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2cc(F)ccc2Br)n1
InChIInChI=1S/C14H14BrFN4O2/c1-8-5-9(2)20(19-8)7-13(21)17-18-14(22)11-6-10(16)3-4-12(11)15/h3-6H,7H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyGNFCYPQSLZTMQA-UHFFFAOYSA-N
MW369.19 g/mol
LogP1.86
Rot. Bonds3

About 2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide

2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide (PubChem CID 9425057) has the molecular formula C14H14BrFN4O2 and a molecular weight of 369.19 g/mol. Its IUPAC name is 2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide
PubChem CID9425057
Molecular FormulaC14H14BrFN4O2
Molecular Weight369.19 g/mol
Exact Mass368.03
IUPAC Name2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2cc(F)ccc2Br)n1
InChIInChI=1S/C14H14BrFN4O2/c1-8-5-9(2)20(19-8)7-13(21)17-18-14(22)11-6-10(16)3-4-12(11)15/h3-6H,7H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyGNFCYPQSLZTMQA-UHFFFAOYSA-N
XLogP1.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
CID 26614007
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 9157672
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide
CID 9416563
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
2-bromo-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 47017202
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide
CID 4792234
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-fluoro-1-benzothiophene-2-carbohydrazide
CID 51193400
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide
CID 9428628

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide?
The IUPAC name of 2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide (CID 9425057) is 2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide.
What is the SMILES notation for 2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide?
The canonical SMILES for 2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)c2cc(F)ccc2Br)n1.
What is the InChIKey of 2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide?
The InChIKey is GNFCYPQSLZTMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4O2/c1-8-5-9(2)20(19-8)7-13(21)17-18-14(22)11-6-10(16)3-4-12(11)15/h3-6H,7H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide?
2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide has a molecular weight of 369.19 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide is sourced from PubChem (CID 9425057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).