3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide

C13H14BrClN4O — CID 102774824

IUPAC3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
SMILESCc1nn(Cc2ccc(C(=O)NN)cc2Br)c(C)c1Cl
InChIInChI=1S/C13H14BrClN4O/c1-7-12(15)8(2)19(18-7)6-10-4-3-9(5-11(10)14)13(20)17-16/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyBPWPCFXBUUBFLI-UHFFFAOYSA-N
MW357.64 g/mol
LogP2.57
Rot. Bonds3

About 3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide

3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide (PubChem CID 102774824) has the molecular formula C13H14BrClN4O and a molecular weight of 357.64 g/mol. Its IUPAC name is 3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
PubChem CID102774824
Molecular FormulaC13H14BrClN4O
Molecular Weight357.64 g/mol
Exact Mass356.00
IUPAC Name3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
SMILESCc1nn(Cc2ccc(C(=O)NN)cc2Br)c(C)c1Cl
InChIInChI=1S/C13H14BrClN4O/c1-7-12(15)8(2)19(18-7)6-10-4-3-9(5-11(10)14)13(20)17-16/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyBPWPCFXBUUBFLI-UHFFFAOYSA-N
XLogP2.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 52.57
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'}

Analyze 3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]aniline
CID 62130009
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
CID 63577103
4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide
CID 55214651
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337293
3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide
CID 102774826
3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458941
4-(azepan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774488
4-(azocan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774506
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19335276
2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-fluorobenzoic acid
CID 55172318
3-bromo-4-[(3-cyano-1,2,4-triazol-1-yl)methyl]benzohydrazide
CID 102774845
3-bromo-4-[(2-oxopiperidin-1-yl)methyl]benzohydrazide
CID 102774809

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide (CID 102774824) is 3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide is Cc1nn(Cc2ccc(C(=O)NN)cc2Br)c(C)c1Cl.
What is the InChIKey of 3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide?
The InChIKey is BPWPCFXBUUBFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4O/c1-7-12(15)8(2)19(18-7)6-10-4-3-9(5-11(10)14)13(20)17-16/h3-5H,6,16H2,1-2H3,(H,17,20).
What are the key properties of 3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide?
3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide has a molecular weight of 357.64 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 102774824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).