5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide

C14H15F3N4O3 — CID 57384736

IUPAC5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)N2N=C(C)CC2(O)C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N4O3/c1-9-7-13(23,14(15,16)17)21(20-9)12(22)19-18-8-10-3-5-11(24-2)6-4-10/h3-6,8,23H,7H2,1-2H3,(H,19,22)/b18-8+
InChIKeyMJTPGBGKDMTVEE-QGMBQPNBSA-N
MW344.29 g/mol
LogP2.07
Rot. Bonds3

About 5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide

5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (PubChem CID 57384736) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
PubChem CID57384736
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)N2N=C(C)CC2(O)C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N4O3/c1-9-7-13(23,14(15,16)17)21(20-9)12(22)19-18-8-10-3-5-11(24-2)6-4-10/h3-6,8,23H,7H2,1-2H3,(H,19,22)/b18-8+
InChIKeyMJTPGBGKDMTVEE-QGMBQPNBSA-N
XLogP2.07
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(E)-(4-chlorophenyl)methylideneamino]-5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
CID 57384985
ethyl 5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
CID 4620847
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-methoxyphenyl)methylideneamino]heptanamide
CID 4283844
[5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 3838990
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625
1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea
CID 712024
[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 2869410
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The IUPAC name of 5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (CID 57384736) is 5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is COc1ccc(/C=N/NC(=O)N2N=C(C)CC2(O)C(F)(F)F)cc1.
What is the InChIKey of 5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The InChIKey is MJTPGBGKDMTVEE-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-9-7-13(23,14(15,16)17)21(20-9)12(22)19-18-8-10-3-5-11(24-2)6-4-10/h3-6,8,23H,7H2,1-2H3,(H,19,22)/b18-8+.
What are the key properties of 5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide has a molecular weight of 344.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 57384736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).