2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole

C20H16F3N3 — CID 51035850

IUPAC2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESCc1ccccc1-c1cc2cc(-c3cc(C(F)(F)F)nn3C)ccc2[nH]1
InChIInChI=1S/C20H16F3N3/c1-12-5-3-4-6-15(12)17-10-14-9-13(7-8-16(14)24-17)18-11-19(20(21,22)23)25-26(18)2/h3-11,24H,1-2H3
InChIKeyPTFBCEAEEYGMDO-UHFFFAOYSA-N
MW355.36 g/mol
LogP5.56
Rot. Bonds2

About 2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole

2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (PubChem CID 51035850) has the molecular formula C20H16F3N3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
PubChem CID51035850
Molecular FormulaC20H16F3N3
Molecular Weight355.36 g/mol
Exact Mass355.13
IUPAC Name2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESCc1ccccc1-c1cc2cc(-c3cc(C(F)(F)F)nn3C)ccc2[nH]1
InChIInChI=1S/C20H16F3N3/c1-12-5-3-4-6-15(12)17-10-14-9-13(7-8-16(14)24-17)18-11-19(20(21,22)23)25-26(18)2/h3-11,24H,1-2H3
InChIKeyPTFBCEAEEYGMDO-UHFFFAOYSA-N
XLogP5.56
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The IUPAC name of 2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (CID 51035850) is 2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The canonical SMILES for 2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is Cc1ccccc1-c1cc2cc(-c3cc(C(F)(F)F)nn3C)ccc2[nH]1.
What is the InChIKey of 2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The InChIKey is PTFBCEAEEYGMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3/c1-12-5-3-4-6-15(12)17-10-14-9-13(7-8-16(14)24-17)18-11-19(20(21,22)23)25-26(18)2/h3-11,24H,1-2H3.
What are the key properties of 2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole has a molecular weight of 355.36 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 51035850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).