N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C20H15F3N4O — CID 51125607

IUPACN-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCc1cc2cc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)ccc2[nH]1
InChIInChI=1S/C20H15F3N4O/c1-12-10-14-11-15(4-7-17(14)24-12)25-19(28)13-2-5-16(6-3-13)27-9-8-18(26-27)20(21,22)23/h2-11,24H,1H3,(H,25,28)
InChIKeyCQTBBUDZNGHVRK-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.93
Rot. Bonds3

About N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 51125607) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID51125607
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC NameN-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCc1cc2cc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)ccc2[nH]1
InChIInChI=1S/C20H15F3N4O/c1-12-10-14-11-15(4-7-17(14)24-12)25-19(28)13-2-5-16(6-3-13)27-9-8-18(26-27)20(21,22)23/h2-11,24H,1H3,(H,25,28)
InChIKeyCQTBBUDZNGHVRK-UHFFFAOYSA-N
XLogP4.93
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 86930444
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 86839354
4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide
CID 46467596
1-(2-fluorophenyl)-N-(2-methyl-1H-indol-5-yl)pyrazole-3-carboxamide
CID 78866415
N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 110904260
2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 112526138
S-[2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56576626
N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
CID 83280456
N-(3-amino-3-oxopropyl)-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]benzamide
CID 56573138
N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71937523
N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide
CID 60579946
2-(methylamino)-N-(2-methyl-1H-indol-5-yl)acetamide
CID 83633877

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 51125607) is N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is Cc1cc2cc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)ccc2[nH]1.
What is the InChIKey of N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is CQTBBUDZNGHVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-12-10-14-11-15(4-7-17(14)24-12)25-19(28)13-2-5-16(6-3-13)27-9-8-18(26-27)20(21,22)23/h2-11,24H,1H3,(H,25,28).
What are the key properties of N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 384.36 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 51125607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).