4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide

C18H15F3N4O2 — CID 137183386

IUPAC4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide
SMILESCn1nc(-c2ccc(Nc3ccc(C(N)=O)cc3)cc2O)cc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O2/c1-25-16(18(19,20)21)9-14(24-25)13-7-6-12(8-15(13)26)23-11-4-2-10(3-5-11)17(22)27/h2-9,23,26H,1H3,(H2,22,27)
InChIKeyVIPUKPFWYBEDOL-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.65
Rot. Bonds4

About 4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide

4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide (PubChem CID 137183386) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide.

Molecular Properties

Compound Name4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide
PubChem CID137183386
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide
SMILESCn1nc(-c2ccc(Nc3ccc(C(N)=O)cc3)cc2O)cc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O2/c1-25-16(18(19,20)21)9-14(24-25)13-7-6-12(8-15(13)26)23-11-4-2-10(3-5-11)17(22)27/h2-9,23,26H,1H3,(H2,22,27)
InChIKeyVIPUKPFWYBEDOL-UHFFFAOYSA-N
XLogP3.65
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968274
4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide
CID 47070769
4-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-propylbenzamide
CID 54583081
4-[4-[3,5-bis(trifluoromethyl)phenyl]triazol-1-yl]-2-hydroxy-N-propylbenzamide
CID 54585996
2-hydroxy-4-(((1-methyl-1H-pyrazol-5-yl)methyl)amino)benzoic acid
CID 19624610
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide
CID 10112515
N-(2,6-difluorophenyl)-2-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 54596413
8-fluoro-5-hydroxy-4-methyl-3-(4-pyrazol-1-ylbenzyl)-1H-quinolin-2-one
CID 67459011
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-4-methylphenyl)benzamide
CID 68656041
1-[2-hydroxy-4-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenyl]butan-1-one
CID 68722762
4-[5-(4-Fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid
CID 135487477
3-fluoro-N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]benzamide
CID 136162353

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide?
The IUPAC name of 4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide (CID 137183386) is 4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide.
What is the SMILES notation for 4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide?
The canonical SMILES for 4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide is Cn1nc(-c2ccc(Nc3ccc(C(N)=O)cc3)cc2O)cc1C(F)(F)F.
What is the InChIKey of 4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide?
The InChIKey is VIPUKPFWYBEDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25-16(18(19,20)21)9-14(24-25)13-7-6-12(8-15(13)26)23-11-4-2-10(3-5-11)17(22)27/h2-9,23,26H,1H3,(H2,22,27).
What are the key properties of 4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide?
4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide has a molecular weight of 376.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]anilino]benzamide is sourced from PubChem (CID 137183386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).