5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole

C19H13ClF3N3O — CID 141219574

IUPAC5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole
SMILESFC(F)(F)c1cc(COc2ccc3[nH]ccc3c2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C19H13ClF3N3O/c20-15-3-1-2-4-17(15)26-13(10-18(25-26)19(21,22)23)11-27-14-5-6-16-12(9-14)7-8-24-16/h1-10,24H,11H2
InChIKeyXWTUPYATTAZIGS-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.60
Rot. Bonds4

About 5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole

5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole (PubChem CID 141219574) has the molecular formula C19H13ClF3N3O and a molecular weight of 391.78 g/mol. Its IUPAC name is 5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole.

Molecular Properties

Compound Name5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole
PubChem CID141219574
Molecular FormulaC19H13ClF3N3O
Molecular Weight391.78 g/mol
Exact Mass391.07
IUPAC Name5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole
SMILESFC(F)(F)c1cc(COc2ccc3[nH]ccc3c2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C19H13ClF3N3O/c20-15-3-1-2-4-17(15)26-13(10-18(25-26)19(21,22)23)11-27-14-5-6-16-12(9-14)7-8-24-16/h1-10,24H,11H2
InChIKeyXWTUPYATTAZIGS-UHFFFAOYSA-N
XLogP5.60
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ly-2874455
CID 46944259
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazole
CID 23647431
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(trifluoromethyl)-1H-indazole
CID 23647432
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazol-6-amine
CID 23647435
(E)-2-(4-(2-(5-(1-(3,5-Dichloropyridin-4-YL)ethoxy)-1H-indazol-3-YL)vinyl)-1H-pyrazol-1-YL)ethanol
CID 66646528
2-[4-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 66646767
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole
CID 137133122
5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
CID 162664273
6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole
CID 164618733
3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole
CID 166462317
4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline
CID 135937353
2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanamine
CID 177378031

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole?
The IUPAC name of 5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole (CID 141219574) is 5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole.
What is the SMILES notation for 5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole?
The canonical SMILES for 5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole is FC(F)(F)c1cc(COc2ccc3[nH]ccc3c2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole?
The InChIKey is XWTUPYATTAZIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O/c20-15-3-1-2-4-17(15)26-13(10-18(25-26)19(21,22)23)11-27-14-5-6-16-12(9-14)7-8-24-16/h1-10,24H,11H2.
What are the key properties of 5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole?
5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole has a molecular weight of 391.78 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-1H-indole is sourced from PubChem (CID 141219574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).