1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide

C20H23F3N4O — CID 144839061

IUPAC1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide
SMILESCN(N)c1cccc(C(F)(F)F)c1/C=C/c1ccccc1C1CC1.NNC=O
InChIInChI=1S/C19H19F3N2.CH4N2O/c1-24(23)18-8-4-7-17(19(20,21)22)16(18)12-11-13-5-2-3-6-15(13)14-9-10-14;2-3-1-4/h2-8,11-12,14H,9-10,23H2,1H3;1H,2H2,(H,3,4)/b12-11+;
InChIKeyQAISWYLCEVSBDK-CALJPSDSSA-N
MW392.43 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide

1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144839061) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide
PubChem CID144839061
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide
SMILESCN(N)c1cccc(C(F)(F)F)c1/C=C/c1ccccc1C1CC1.NNC=O
InChIInChI=1S/C19H19F3N2.CH4N2O/c1-24(23)18-8-4-7-17(19(20,21)22)16(18)12-11-13-5-2-3-6-15(13)14-9-10-14;2-3-1-4/h2-8,11-12,14H,9-10,23H2,1H3;1H,2H2,(H,3,4)/b12-11+;
InChIKeyQAISWYLCEVSBDK-CALJPSDSSA-N
XLogP3.67
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 144838244
1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine
CID 144838535
1-[3-cyclopropyl-2-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-methylhydrazine
CID 144838188
1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144839105
1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine
CID 144838823
4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 175214465
1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide
CID 144838858
1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
CID 175858113
1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144837932
(E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 44525811
1-[3-cyclopropyl-5-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine
CID 144838636
N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806629

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide (CID 144839061) is 1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide is CN(N)c1cccc(C(F)(F)F)c1/C=C/c1ccccc1C1CC1.NNC=O.
What is the InChIKey of 1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is QAISWYLCEVSBDK-CALJPSDSSA-N. The full InChI is InChI=1S/C19H19F3N2.CH4N2O/c1-24(23)18-8-4-7-17(19(20,21)22)16(18)12-11-13-5-2-3-6-15(13)14-9-10-14;2-3-1-4/h2-8,11-12,14H,9-10,23H2,1H3;1H,2H2,(H,3,4)/b12-11+;.
What are the key properties of 1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide?
1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 392.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144839061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).