(3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine

C14H14BrFIN5 — CID 164719527

IUPAC(3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine
SMILESCCn1ncc(CC(/C=N\N)=N/c2ccc(F)cc2I)c1Br
InChIInChI=1S/C14H14BrFIN5/c1-2-22-14(15)9(7-20-22)5-11(8-19-18)21-13-4-3-10(16)6-12(13)17/h3-4,6-8H,2,5,18H2,1H3/b19-8-,21-11-
InChIKeyCHASLCABMCJMSF-APZLTRJTSA-N
MW478.11 g/mol
LogP3.67
Rot. Bonds5

About (3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine

(3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine (PubChem CID 164719527) has the molecular formula C14H14BrFIN5 and a molecular weight of 478.11 g/mol. Its IUPAC name is (3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine.

Molecular Properties

Compound Name(3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine
PubChem CID164719527
Molecular FormulaC14H14BrFIN5
Molecular Weight478.11 g/mol
Exact Mass476.95
IUPAC Name(3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine
SMILESCCn1ncc(CC(/C=N\N)=N/c2ccc(F)cc2I)c1Br
InChIInChI=1S/C14H14BrFIN5/c1-2-22-14(15)9(7-20-22)5-11(8-19-18)21-13-4-3-10(16)6-12(13)17/h3-4,6-8H,2,5,18H2,1H3/b19-8-,21-11-
InChIKeyCHASLCABMCJMSF-APZLTRJTSA-N
XLogP3.67
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.11
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine 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

5-bromo-1-(4-fluorophenyl)-1H-pyrazole
CID 71758080
1-benzyl-3-bromo-1H-pyrazole
CID 97053225
3-(4-Fluorophenyl)-1-methyl-1h-pyrazole
CID 66868800
5-(2-Bromophenyl)-1-methyl-1H-pyrazole
CID 82621101
5-[(4-Fluorophenyl)methyl]-1-methylpyrazole
CID 102523560
N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine
CID 135036714
5-Bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole
CID 162406917
5-(4-Bromophenyl)-1-methyl-1H-pyrazole
CID 12581092
1-Benzyl-5-bromo-1H-pyrazole
CID 15740729
3-(4-Bromo-1-ethyl-1H-pyrazol-3-yl)aniline
CID 57548018
1-Benzyl-3-bromo-5-methylpyrazole
CID 138980606
[1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methanamine
CID 16767577

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine?
The IUPAC name of (3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine (CID 164719527) is (3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine.
What is the SMILES notation for (3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine?
The canonical SMILES for (3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine is CCn1ncc(CC(/C=N\N)=N/c2ccc(F)cc2I)c1Br.
What is the InChIKey of (3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine?
The InChIKey is CHASLCABMCJMSF-APZLTRJTSA-N. The full InChI is InChI=1S/C14H14BrFIN5/c1-2-22-14(15)9(7-20-22)5-11(8-19-18)21-13-4-3-10(16)6-12(13)17/h3-4,6-8H,2,5,18H2,1H3/b19-8-,21-11-.
What are the key properties of (3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine?
(3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine has a molecular weight of 478.11 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine is sourced from PubChem (CID 164719527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).