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

C14H18BrN5O — CID 102774650

IUPAC3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide
SMILESCN(Cc1cnn(C)c1)Cc1ccc(C(=O)NN)cc1Br
InChIInChI=1S/C14H18BrN5O/c1-19(7-10-6-17-20(2)8-10)9-12-4-3-11(5-13(12)15)14(21)18-16/h3-6,8H,7,9,16H2,1-2H3,(H,18,21)
InChIKeyRNNHDAYEFGHIQV-UHFFFAOYSA-N
MW352.24 g/mol
LogP1.42
Rot. Bonds5

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

3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide (PubChem CID 102774650) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide
PubChem CID102774650
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide
SMILESCN(Cc1cnn(C)c1)Cc1ccc(C(=O)NN)cc1Br
InChIInChI=1S/C14H18BrN5O/c1-19(7-10-6-17-20(2)8-10)9-12-4-3-11(5-13(12)15)14(21)18-16/h3-6,8H,7,9,16H2,1-2H3,(H,18,21)
InChIKeyRNNHDAYEFGHIQV-UHFFFAOYSA-N
XLogP1.42
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
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-bromo-4-[[methyl(pentyl)amino]methyl]benzohydrazide
CID 102774523
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CID 63583505
3-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarbothioamide
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2-bromo-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 115557082
[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 64770261
3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide
CID 102774549
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
CID 50959414
1-(3-bromophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62613793
4-[[bis(2-hydroxyethyl)amino]methyl]-3-bromobenzohydrazide
CID 102774570
3-bromo-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]benzohydrazide
CID 102774778
3-bromo-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 102774748

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide (CID 102774650) is 3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide is CN(Cc1cnn(C)c1)Cc1ccc(C(=O)NN)cc1Br.
What is the InChIKey of 3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide?
The InChIKey is RNNHDAYEFGHIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-19(7-10-6-17-20(2)8-10)9-12-4-3-11(5-13(12)15)14(21)18-16/h3-6,8H,7,9,16H2,1-2H3,(H,18,21).
What are the key properties of 3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide?
3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide has a molecular weight of 352.24 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide is sourced from PubChem (CID 102774650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).