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

C19H13F4N3 — CID 51037721

IUPAC2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3F)cc2c1
InChIInChI=1S/C19H13F4N3/c1-26-17(10-18(25-26)19(21,22)23)11-6-7-15-12(8-11)9-16(24-15)13-4-2-3-5-14(13)20/h2-10,24H,1H3
InChIKeyZBQVVHBYDXCEGC-UHFFFAOYSA-N
MW359.33 g/mol
LogP5.39
Rot. Bonds2

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

2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (PubChem CID 51037721) has the molecular formula C19H13F4N3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
PubChem CID51037721
Molecular FormulaC19H13F4N3
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Name2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3F)cc2c1
InChIInChI=1S/C19H13F4N3/c1-26-17(10-18(25-26)19(21,22)23)11-6-7-15-12(8-11)9-16(24-15)13-4-2-3-5-14(13)20/h2-10,24H,1H3
InChIKeyZBQVVHBYDXCEGC-UHFFFAOYSA-N
XLogP5.39
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.33
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The IUPAC name of 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (CID 51037721) is 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3F)cc2c1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The InChIKey is ZBQVVHBYDXCEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3/c1-26-17(10-18(25-26)19(21,22)23)11-6-7-15-12(8-11)9-16(24-15)13-4-2-3-5-14(13)20/h2-10,24H,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole has a molecular weight of 359.33 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 51037721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).