N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide

C19H16F3N3O — CID 43018526

IUPACN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H16F3N3O/c1-12-6-8-16(9-7-12)25-17(10-13(2)24-25)23-18(26)14-4-3-5-15(11-14)19(20,21)22/h3-11H,1-2H3,(H,23,26)
InChIKeyPYCDVPPZJYQYFA-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.76
Rot. Bonds3

About N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 43018526) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID43018526
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H16F3N3O/c1-12-6-8-16(9-7-12)25-17(10-13(2)24-25)23-18(26)14-4-3-5-15(11-14)19(20,21)22/h3-11H,1-2H3,(H,23,26)
InChIKeyPYCDVPPZJYQYFA-UHFFFAOYSA-N
XLogP4.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502941
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 27477328
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 75524900
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 18570109
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 78883780
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 55508208
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55503618
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-pyrrol-1-ylbenzamide
CID 112805877
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide (CID 43018526) is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide is Cc1ccc(-n2nc(C)cc2NC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is PYCDVPPZJYQYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-12-6-8-16(9-7-12)25-17(10-13(2)24-25)23-18(26)14-4-3-5-15(11-14)19(20,21)22/h3-11H,1-2H3,(H,23,26).
What are the key properties of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 359.35 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 43018526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).