2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C18H15F3N4O — CID 169091207

IUPAC2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C18H15F3N4O/c1-25-16(11-15(24-25)18(19,20)21)23-17(26)13-9-5-6-10-14(13)22-12-7-3-2-4-8-12/h2-11,22H,1H3,(H,23,26)
InChIKeyWAYQHFCPPASPHM-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.43
Rot. Bonds4

About 2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 169091207) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID169091207
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C18H15F3N4O/c1-25-16(11-15(24-25)18(19,20)21)23-17(26)13-9-5-6-10-14(13)22-12-7-3-2-4-8-12/h2-11,22H,1H3,(H,23,26)
InChIKeyWAYQHFCPPASPHM-UHFFFAOYSA-N
XLogP4.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 169091173
bis(2-anilinophenyl)methanone
CID 141301141
2-anilino-N-(3,5-dichlorophenyl)benzamide
CID 54784944
2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 21179492
N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
CID 47058047
2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide
CID 59531640
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
N-(2-benzoyl-4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477468
2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide
CID 56847745
1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone
CID 140584161
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
N-(2-anilinophenyl)-2-(2-methoxyanilino)benzamide
CID 23906809

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of 2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 169091207) is 2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is Cn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is WAYQHFCPPASPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-25-16(11-15(24-25)18(19,20)21)23-17(26)13-9-5-6-10-14(13)22-12-7-3-2-4-8-12/h2-11,22H,1H3,(H,23,26).
What are the key properties of 2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 360.34 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 169091207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).