2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide

C13H15IN4O — CID 105352253

IUPAC2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(Cn2cc(I)cn2)cc1
InChIInChI=1S/C13H15IN4O/c1-9(13(19)17-15)11-4-2-10(3-5-11)7-18-8-12(14)6-16-18/h2-6,8-9H,7,15H2,1H3,(H,17,19)
InChIKeyWDCBYNUDATXZTK-UHFFFAOYSA-N
MW370.19 g/mol
LogP1.63
Rot. Bonds4

About 2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide

2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide (PubChem CID 105352253) has the molecular formula C13H15IN4O and a molecular weight of 370.19 g/mol. Its IUPAC name is 2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide
PubChem CID105352253
Molecular FormulaC13H15IN4O
Molecular Weight370.19 g/mol
Exact Mass370.03
IUPAC Name2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(Cn2cc(I)cn2)cc1
InChIInChI=1S/C13H15IN4O/c1-9(13(19)17-15)11-4-2-10(3-5-11)7-18-8-12(14)6-16-18/h2-6,8-9H,7,15H2,1H3,(H,17,19)
InChIKeyWDCBYNUDATXZTK-UHFFFAOYSA-N
XLogP1.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 51.63
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]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

4-iodo-1-[(4-methylphenyl)methyl]pyrazole
CID 15942918
N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105348677
2-[4-(1,4-diazepan-1-ylmethyl)phenyl]propanehydrazide
CID 105351905
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352178
2-[4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352291
2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352099
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
CID 105351558
2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide
CID 105352208
5-[(4-iodopyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295301
2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352289
2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide
CID 105352128

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide (CID 105352253) is 2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(Cn2cc(I)cn2)cc1.
What is the InChIKey of 2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide?
The InChIKey is WDCBYNUDATXZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4O/c1-9(13(19)17-15)11-4-2-10(3-5-11)7-18-8-12(14)6-16-18/h2-6,8-9H,7,15H2,1H3,(H,17,19).
What are the key properties of 2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide?
2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide has a molecular weight of 370.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105352253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).