6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide

C20H15F3N4O2 — CID 57399464

IUPAC6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)29-15-3-1-2-12(6-15)8-25-19(28)17-11-24-18-7-13(4-5-16(17)18)14-9-26-27-10-14/h1-7,9-11,24H,8H2,(H,25,28)(H,26,27)
InChIKeyUVPHWUGLYSWARJ-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.39
Rot. Bonds5

About 6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide

6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide (PubChem CID 57399464) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide
PubChem CID57399464
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)29-15-3-1-2-12(6-15)8-25-19(28)17-11-24-18-7-13(4-5-16(17)18)14-9-26-27-10-14/h1-7,9-11,24H,8H2,(H,25,28)(H,26,27)
InChIKeyUVPHWUGLYSWARJ-UHFFFAOYSA-N
XLogP4.39
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide (CID 57399464) is 6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide is O=C(NCc1cccc(OC(F)(F)F)c1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12.
What is the InChIKey of 6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide?
The InChIKey is UVPHWUGLYSWARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c21-20(22,23)29-15-3-1-2-12(6-15)8-25-19(28)17-11-24-18-7-13(4-5-16(17)18)14-9-26-27-10-14/h1-7,9-11,24H,8H2,(H,25,28)(H,26,27).
What are the key properties of 6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide?
6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 57399464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).