N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

C18H14F3N3O2 — CID 99703386

IUPACN-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)ccc1O
InChIInChI=1S/C18H14F3N3O2/c1-11-9-13(5-6-15(11)25)23-17(26)12-3-2-4-14(10-12)24-16(7-8-22-24)18(19,20)21/h2-10,25H,1H3,(H,23,26)
InChIKeySCMXIGIKTGAZJR-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.16
Rot. Bonds3

About N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 99703386) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID99703386
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC NameN-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)ccc1O
InChIInChI=1S/C18H14F3N3O2/c1-11-9-13(5-6-15(11)25)23-17(26)12-3-2-4-14(10-12)24-16(7-8-22-24)18(19,20)21/h2-10,25H,1H3,(H,23,26)
InChIKeySCMXIGIKTGAZJR-UHFFFAOYSA-N
XLogP4.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 6457614
N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119504361
N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119630682
N-[(2S)-1-aminopropan-2-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120505817
N-(2-amino-2-ethylbutyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119643925
N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000751
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119609023
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119575990
3-(prop-2-ynylsulfamoyl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
CID 60576219
ethyl 3-cyano-3-[[3-[5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]propanoate
CID 166415900
N-(3-acetylphenyl)-4-hydroxy-3-methylbenzamide
CID 103955356

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 99703386) is N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is Cc1cc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)ccc1O.
What is the InChIKey of N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is SCMXIGIKTGAZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-11-9-13(5-6-15(11)25)23-17(26)12-3-2-4-14(10-12)24-16(7-8-22-24)18(19,20)21/h2-10,25H,1H3,(H,23,26).
What are the key properties of N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 361.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 99703386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).