3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide

C24H19F3N4O3 — CID 136659082

IUPAC3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide
SMILESCC(=NNC(=O)c1cc2ccccc2cc1O)c1c(C)[nH]n(-c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C24H19F3N4O3/c1-13(28-29-22(33)19-11-15-5-3-4-6-16(15)12-20(19)32)21-14(2)30-31(23(21)34)18-9-7-17(8-10-18)24(25,26)27/h3-12,30,32H,1-2H3,(H,29,33)
InChIKeyKMFZDTVCRVEOIW-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.51
Rot. Bonds4

About 3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide (PubChem CID 136659082) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is 3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide
PubChem CID136659082
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Name3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide
SMILESCC(=NNC(=O)c1cc2ccccc2cc1O)c1c(C)[nH]n(-c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C24H19F3N4O3/c1-13(28-29-22(33)19-11-15-5-3-4-6-16(15)12-20(19)32)21-14(2)30-31(23(21)34)18-9-7-17(8-10-18)24(25,26)27/h3-12,30,32H,1-2H3,(H,29,33)
InChIKeyKMFZDTVCRVEOIW-UHFFFAOYSA-N
XLogP4.51
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydroxy-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;2-hydroxy-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-hydroxy-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;3-hydroxy-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide
CID 159203431
N-[1-[2-(4-tert-butylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]-3,4-dihydroxybenzamide
CID 136636447
2-hydroxy-N-[1-[2-(4-iodophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide
CID 136601539
3-amino-N-[(E)-1-[2-(4-tert-butylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide
CID 137158426
2-bromo-N-[1-[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide
CID 137025083
2,4-dihydroxy-N-[(E)-1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide
CID 137031467
3-bromo-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide
CID 135648521
N-[1-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]-3-hydroxybenzamide
CID 136610246
N-[1-[2-[3-(fluoromethyl)phenyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]-3,4-dihydroxybenzamide
CID 173466399
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
CID 5413691
N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide
CID 135411764

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide (CID 136659082) is 3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide is CC(=NNC(=O)c1cc2ccccc2cc1O)c1c(C)[nH]n(-c2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of 3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide?
The InChIKey is KMFZDTVCRVEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c1-13(28-29-22(33)19-11-15-5-3-4-6-16(15)12-20(19)32)21-14(2)30-31(23(21)34)18-9-7-17(8-10-18)24(25,26)27/h3-12,30,32H,1-2H3,(H,29,33).
What are the key properties of 3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 136659082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).