5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole

C19H20F3N3O — CID 58200577

IUPAC5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCOCC3)cc2c1
InChIInChI=1S/C19H20F3N3O/c1-2-25-17(11-18(24-25)19(20,21)22)13-3-4-15-14(9-13)10-16(23-15)12-5-7-26-8-6-12/h3-4,9-12,23H,2,5-8H2,1H3
InChIKeyCFAFDQSQAFFRKW-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.96
Rot. Bonds3

About 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole

5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole (PubChem CID 58200577) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole.

Molecular Properties

Compound Name5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole
PubChem CID58200577
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCOCC3)cc2c1
InChIInChI=1S/C19H20F3N3O/c1-2-25-17(11-18(24-25)19(20,21)22)13-3-4-15-14(9-13)10-16(23-15)12-5-7-26-8-6-12/h3-4,9-12,23H,2,5-8H2,1H3
InChIKeyCFAFDQSQAFFRKW-UHFFFAOYSA-N
XLogP4.96
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 127033872
2-[3,5-dimethyl-1-[[4-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]methyl]pyrazol-4-yl]acetic acid
CID 66550738
US11247989, Example 72
CID 137247649
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]propan-2-amine
CID 42453597
2-(2-methylphenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-indole
CID 51035850
5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole
CID 51035852
2-(2,3-Difluoro-phenyl)-5-(2-methyl-5-pyridin-3-yl-2H-pyrazol-3-yl)-1H-indole
CID 51036468
2-(2,6-difluoro-phenyl)-5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-1H-indole
CID 51037308
2-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-indole
CID 51037721
2-(2,6-difluoro-phenyl)-5-(2-ethyl-5-phenyl-2H-pyrazol-3-yl)-1H-indole
CID 51037925
2-(2,6-difluorophenyl)-5-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole
CID 51037927
2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-1H-indole
CID 51037928

Frequently Asked Questions

What is the IUPAC name of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole?
The IUPAC name of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole (CID 58200577) is 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole.
What is the SMILES notation for 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole?
The canonical SMILES for 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole is CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCOCC3)cc2c1.
What is the InChIKey of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole?
The InChIKey is CFAFDQSQAFFRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-2-25-17(11-18(24-25)19(20,21)22)13-3-4-15-14(9-13)10-16(23-15)12-5-7-26-8-6-12/h3-4,9-12,23H,2,5-8H2,1H3.
What are the key properties of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole?
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole has a molecular weight of 363.38 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole is sourced from PubChem (CID 58200577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).