(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide

C6H9BrN4O — CID 7026116

IUPAC(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
SMILESC[C@@H](C(=O)NN)n1cc(Br)cn1
InChIInChI=1S/C6H9BrN4O/c1-4(6(12)10-8)11-3-5(7)2-9-11/h2-4H,8H2,1H3,(H,10,12)/t4-/m0/s1
InChIKeyFJTGTGQGMPEUCZ-BYPYZUCNSA-N
MW233.07 g/mol
LogP0.20
Rot. Bonds2

About (2S)-2-(4-bromopyrazol-1-yl)propanehydrazide

(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide (PubChem CID 7026116) has the molecular formula C6H9BrN4O and a molecular weight of 233.07 g/mol. Its IUPAC name is (2S)-2-(4-bromopyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
PubChem CID7026116
Molecular FormulaC6H9BrN4O
Molecular Weight233.07 g/mol
Exact Mass232.00
IUPAC Name(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
SMILESC[C@@H](C(=O)NN)n1cc(Br)cn1
InChIInChI=1S/C6H9BrN4O/c1-4(6(12)10-8)11-3-5(7)2-9-11/h2-4H,8H2,1H3,(H,10,12)/t4-/m0/s1
InChIKeyFJTGTGQGMPEUCZ-BYPYZUCNSA-N
XLogP0.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 50.20
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 (2S)-2-(4-bromopyrazol-1-yl)propanehydrazide 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

2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 61036183
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809
2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 45153789
2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
CID 45153765
2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 45153796
N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 19537474
4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19406207
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19537511
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromopyrazol-1-yl)propanehydrazide?
The IUPAC name of (2S)-2-(4-bromopyrazol-1-yl)propanehydrazide (CID 7026116) is (2S)-2-(4-bromopyrazol-1-yl)propanehydrazide.
What is the SMILES notation for (2S)-2-(4-bromopyrazol-1-yl)propanehydrazide?
The canonical SMILES for (2S)-2-(4-bromopyrazol-1-yl)propanehydrazide is C[C@@H](C(=O)NN)n1cc(Br)cn1.
What is the InChIKey of (2S)-2-(4-bromopyrazol-1-yl)propanehydrazide?
The InChIKey is FJTGTGQGMPEUCZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9BrN4O/c1-4(6(12)10-8)11-3-5(7)2-9-11/h2-4H,8H2,1H3,(H,10,12)/t4-/m0/s1.
What are the key properties of (2S)-2-(4-bromopyrazol-1-yl)propanehydrazide?
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide has a molecular weight of 233.07 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromopyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 7026116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).