2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole

C20H14F5N3 — CID 58200671

IUPAC2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESCc1c(-c2c(F)cccc2F)[nH]c2ccc(-c3cc(C(F)(F)F)nn3C)cc12
InChIInChI=1S/C20H14F5N3/c1-10-12-8-11(16-9-17(20(23,24)25)27-28(16)2)6-7-15(12)26-19(10)18-13(21)4-3-5-14(18)22/h3-9,26H,1-2H3
InChIKeyLJOQWZJQAULVDC-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.84
Rot. Bonds2

About 2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole

2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (PubChem CID 58200671) has the molecular formula C20H14F5N3 and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
PubChem CID58200671
Molecular FormulaC20H14F5N3
Molecular Weight391.34 g/mol
Exact Mass391.11
IUPAC Name2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESCc1c(-c2c(F)cccc2F)[nH]c2ccc(-c3cc(C(F)(F)F)nn3C)cc12
InChIInChI=1S/C20H14F5N3/c1-10-12-8-11(16-9-17(20(23,24)25)27-28(16)2)6-7-15(12)26-19(10)18-13(21)4-3-5-14(18)22/h3-9,26H,1-2H3
InChIKeyLJOQWZJQAULVDC-UHFFFAOYSA-N
XLogP5.84
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The IUPAC name of 2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (CID 58200671) is 2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is Cc1c(-c2c(F)cccc2F)[nH]c2ccc(-c3cc(C(F)(F)F)nn3C)cc12.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The InChIKey is LJOQWZJQAULVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5N3/c1-10-12-8-11(16-9-17(20(23,24)25)27-28(16)2)6-7-15(12)26-19(10)18-13(21)4-3-5-14(18)22/h3-9,26H,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole has a molecular weight of 391.34 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 58200671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).