2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine

C20H17F3N4 — CID 167899707

IUPAC2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(-c3cnn(-c4cccc(C(F)(F)F)c4)c3)cc12
InChIInChI=1S/C20H17F3N4/c21-20(22,23)16-2-1-3-17(9-16)27-12-15(11-26-27)13-4-5-19-18(8-13)14(6-7-24)10-25-19/h1-5,8-12,25H,6-7,24H2
InChIKeyOOAWROUGJRLWAA-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.54
Rot. Bonds4

About 2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine

2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine (PubChem CID 167899707) has the molecular formula C20H17F3N4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine
PubChem CID167899707
Molecular FormulaC20H17F3N4
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(-c3cnn(-c4cccc(C(F)(F)F)c4)c3)cc12
InChIInChI=1S/C20H17F3N4/c21-20(22,23)16-2-1-3-17(9-16)27-12-15(11-26-27)13-4-5-19-18(8-13)14(6-7-24)10-25-19/h1-5,8-12,25H,6-7,24H2
InChIKeyOOAWROUGJRLWAA-UHFFFAOYSA-N
XLogP4.54
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine (CID 167899707) is 2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(-c3cnn(-c4cccc(C(F)(F)F)c4)c3)cc12.
What is the InChIKey of 2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine?
The InChIKey is OOAWROUGJRLWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4/c21-20(22,23)16-2-1-3-17(9-16)27-12-15(11-26-27)13-4-5-19-18(8-13)14(6-7-24)10-25-19/h1-5,8-12,25H,6-7,24H2.
What are the key properties of 2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine?
2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine has a molecular weight of 370.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 167899707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).