N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide

C23H24F3N7O — CID 88544923

IUPACN-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
SMILES[H]/N=C/C=N\Nc1ccc(C)cc1C(=O)N(CC)CCn1ccc(-c2cc(C(F)(F)F)ccn2)n1
InChIInChI=1S/C23H24F3N7O/c1-3-32(22(34)18-14-16(2)4-5-19(18)30-29-10-8-27)12-13-33-11-7-20(31-33)21-15-17(6-9-28-21)23(24,25)26/h4-11,14-15,27,30H,3,12-13H2,1-2H3/b27-8+,29-10-
InChIKeyFDDATNJMJRMOKO-QLBPYTOLSA-N
MW471.49 g/mol
LogP4.48
Rot. Bonds9

About N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide

N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide (PubChem CID 88544923) has the molecular formula C23H24F3N7O and a molecular weight of 471.49 g/mol. Its IUPAC name is N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
PubChem CID88544923
Molecular FormulaC23H24F3N7O
Molecular Weight471.49 g/mol
Exact Mass471.20
IUPAC NameN-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
SMILES[H]/N=C/C=N\Nc1ccc(C)cc1C(=O)N(CC)CCn1ccc(-c2cc(C(F)(F)F)ccn2)n1
InChIInChI=1S/C23H24F3N7O/c1-3-32(22(34)18-14-16(2)4-5-19(18)30-29-10-8-27)12-13-33-11-7-20(31-33)21-15-17(6-9-28-21)23(24,25)26/h4-11,14-15,27,30H,3,12-13H2,1-2H3/b27-8+,29-10-
InChIKeyFDDATNJMJRMOKO-QLBPYTOLSA-N
XLogP4.48
TPSA99.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide (CID 88544923) is N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide is [H]/N=C/C=N\Nc1ccc(C)cc1C(=O)N(CC)CCn1ccc(-c2cc(C(F)(F)F)ccn2)n1.
What is the InChIKey of N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The InChIKey is FDDATNJMJRMOKO-QLBPYTOLSA-N. The full InChI is InChI=1S/C23H24F3N7O/c1-3-32(22(34)18-14-16(2)4-5-19(18)30-29-10-8-27)12-13-33-11-7-20(31-33)21-15-17(6-9-28-21)23(24,25)26/h4-11,14-15,27,30H,3,12-13H2,1-2H3/b27-8+,29-10-.
What are the key properties of N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide has a molecular weight of 471.49 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methyl-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 88544923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).