1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide

C25H30F3N5O2 — CID 144773168

IUPAC1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCCc1cccc(-c2ccc(OCc3c(CC)cccc3N(C)N)c(C(F)(F)F)c2)n1.NNC=O
InChIInChI=1S/C24H26F3N3O.CH4N2O/c1-4-16-8-6-11-22(30(3)28)19(16)15-31-23-13-12-17(14-20(23)24(25,26)27)21-10-7-9-18(5-2)29-21;2-3-1-4/h6-14H,4-5,15,28H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyLEYJUYMYOPCNRJ-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.39
Rot. Bonds8

About 1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide

1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144773168) has the molecular formula C25H30F3N5O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is 1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide
PubChem CID144773168
Molecular FormulaC25H30F3N5O2
Molecular Weight489.54 g/mol
Exact Mass489.24
IUPAC Name1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCCc1cccc(-c2ccc(OCc3c(CC)cccc3N(C)N)c(C(F)(F)F)c2)n1.NNC=O
InChIInChI=1S/C24H26F3N3O.CH4N2O/c1-4-16-8-6-11-22(30(3)28)19(16)15-31-23-13-12-17(14-20(23)24(25,26)27)21-10-7-9-18(5-2)29-21;2-3-1-4/h6-14H,4-5,15,28H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyLEYJUYMYOPCNRJ-UHFFFAOYSA-N
XLogP4.39
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide (CID 144773168) is 1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide is CCc1cccc(-c2ccc(OCc3c(CC)cccc3N(C)N)c(C(F)(F)F)c2)n1.NNC=O.
What is the InChIKey of 1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is LEYJUYMYOPCNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O.CH4N2O/c1-4-16-8-6-11-22(30(3)28)19(16)15-31-23-13-12-17(14-20(23)24(25,26)27)21-10-7-9-18(5-2)29-21;2-3-1-4/h6-14H,4-5,15,28H2,1-3H3;1H,2H2,(H,3,4).
What are the key properties of 1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide?
1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 489.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144773168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).