2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole

C20H16F3N3O — CID 150536977

IUPAC2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole
SMILESFC(F)(F)Oc1ccc(-c2cccc3cc(CCn4cccn4)[nH]c23)cc1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)27-17-7-5-14(6-8-17)18-4-1-3-15-13-16(25-19(15)18)9-12-26-11-2-10-24-26/h1-8,10-11,13,25H,9,12H2
InChIKeyIFAVTNBJWVGMMB-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.17
Rot. Bonds5

About 2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole

2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole (PubChem CID 150536977) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole.

Molecular Properties

Compound Name2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole
PubChem CID150536977
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole
SMILESFC(F)(F)Oc1ccc(-c2cccc3cc(CCn4cccn4)[nH]c23)cc1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)27-17-7-5-14(6-8-17)18-4-1-3-15-13-16(25-19(15)18)9-12-26-11-2-10-24-26/h1-8,10-11,13,25H,9,12H2
InChIKeyIFAVTNBJWVGMMB-UHFFFAOYSA-N
XLogP5.17
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464
5-{5-[(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731505
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(trifluoromethyl)-1H-indazole
CID 23647432
3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole
CID 12989853
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 44223243
5-(3-(3-methoxybenzyl)pyrrolidin-3-yl)-1H-indole
CID 44230734
5-[4-(Trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
CID 127044563
5-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 127044564
8-Methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135410215
7-Methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135469330
5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
CID 156734147

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole?
The IUPAC name of 2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole (CID 150536977) is 2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole.
What is the SMILES notation for 2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole?
The canonical SMILES for 2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole is FC(F)(F)Oc1ccc(-c2cccc3cc(CCn4cccn4)[nH]c23)cc1.
What is the InChIKey of 2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole?
The InChIKey is IFAVTNBJWVGMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-20(22,23)27-17-7-5-14(6-8-17)18-4-1-3-15-13-16(25-19(15)18)9-12-26-11-2-10-24-26/h1-8,10-11,13,25H,9,12H2.
What are the key properties of 2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole?
2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole has a molecular weight of 371.36 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-indole is sourced from PubChem (CID 150536977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).