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

C28H28Br2F2I2N10O — CID 164963958

IUPAC1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol
SMILESCCn1ncc(C(O)/C(C=NN)=N/c2ccc(F)cc2I)c1Br.CCn1ncc(C/C(C=NN)=N/c2ccc(F)cc2I)c1Br
InChIInChI=1S/C14H14BrFIN5O.C14H14BrFIN5/c1-2-22-14(15)9(6-20-22)13(23)12(7-19-18)21-11-4-3-8(16)5-10(11)17;1-2-22-14(15)9(7-20-22)5-11(8-19-18)21-13-4-3-10(16)6-12(13)17/h3-7,13,23H,2,18H2,1H3;3-4,6-8H,2,5,18H2,1H3/b19-7?,21-12+;19-8?,21-11-
InChIKeyZXCQONCHASZBPX-SKWRNSCQSA-N
MW972.21 g/mol
LogP6.83
Rot. Bonds10

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

1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol (PubChem CID 164963958) has the molecular formula C28H28Br2F2I2N10O and a molecular weight of 972.21 g/mol. Its IUPAC name is 1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol
PubChem CID164963958
Molecular FormulaC28H28Br2F2I2N10O
Molecular Weight972.21 g/mol
Exact Mass969.89
IUPAC Name1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol
SMILESCCn1ncc(C(O)/C(C=NN)=N/c2ccc(F)cc2I)c1Br.CCn1ncc(C/C(C=NN)=N/c2ccc(F)cc2I)c1Br
InChIInChI=1S/C14H14BrFIN5O.C14H14BrFIN5/c1-2-22-14(15)9(6-20-22)13(23)12(7-19-18)21-11-4-3-8(16)5-10(11)17;1-2-22-14(15)9(7-20-22)5-11(8-19-18)21-13-4-3-10(16)6-12(13)17/h3-7,13,23H,2,18H2,1H3;3-4,6-8H,2,5,18H2,1H3/b19-7?,21-12+;19-8?,21-11-
InChIKeyZXCQONCHASZBPX-SKWRNSCQSA-N
XLogP6.83
TPSA157.35 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500972.21
LogP ≤ 56.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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 1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol with MolForge

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Related Compounds

[3-Bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 164718812
(5-Bromo-1-ethylpyrazol-4-yl)-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
CID 164719094
(3Z)-1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol
CID 164719151
(5-Bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)triazol-4-yl]methanol
CID 164719519
1-(5-Bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol
CID 164963960
(5-Bromo-1-ethylpyrazol-4-yl)-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
CID 164985610
(5-Bromo-1-ethylpyrazol-4-yl)-[2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol
CID 175719078
3-Bromo-5-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 165008124

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol?
The IUPAC name of 1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol (CID 164963958) is 1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol.
What is the SMILES notation for 1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol?
The canonical SMILES for 1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol is CCn1ncc(C(O)/C(C=NN)=N/c2ccc(F)cc2I)c1Br.CCn1ncc(C/C(C=NN)=N/c2ccc(F)cc2I)c1Br.
What is the InChIKey of 1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol?
The InChIKey is ZXCQONCHASZBPX-SKWRNSCQSA-N. The full InChI is InChI=1S/C14H14BrFIN5O.C14H14BrFIN5/c1-2-22-14(15)9(6-20-22)13(23)12(7-19-18)21-11-4-3-8(16)5-10(11)17;1-2-22-14(15)9(7-20-22)5-11(8-19-18)21-13-4-3-10(16)6-12(13)17/h3-7,13,23H,2,18H2,1H3;3-4,6-8H,2,5,18H2,1H3/b19-7?,21-12+;19-8?,21-11-.
What are the key properties of 1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol?
1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol has a molecular weight of 972.21 g/mol, XLogP of 6.83, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-ethylpyrazol-4-yl)-N-(4-fluoro-2-iodophenyl)-3-hydrazinylidenepropan-2-imine;1-(5-bromo-1-ethylpyrazol-4-yl)-2-(4-fluoro-2-iodophenyl)imino-3-hydrazinylidenepropan-1-ol is sourced from PubChem (CID 164963958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).