4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

C19H15F3N4 — CID 67388189

IUPAC4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(c1cccc(C(F)(F)F)c1)n1nccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C19H15F3N4/c1-12(13-3-2-4-14(11-13)19(20,21)22)26-17(7-10-25-26)15-5-8-23-18-16(15)6-9-24-18/h2-12H,1H3,(H,23,24)
InChIKeyNEAKGEOYSGWNNL-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.05
Rot. Bonds3

About 4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67388189) has the molecular formula C19H15F3N4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID67388189
Molecular FormulaC19H15F3N4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(c1cccc(C(F)(F)F)c1)n1nccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C19H15F3N4/c1-12(13-3-2-4-14(11-13)19(20,21)22)26-17(7-10-25-26)15-5-8-23-18-16(15)6-9-24-18/h2-12H,1H3,(H,23,24)
InChIKeyNEAKGEOYSGWNNL-UHFFFAOYSA-N
XLogP5.05
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 67388189) is 4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine is CC(c1cccc(C(F)(F)F)c1)n1nccc1-c1ccnc2[nH]ccc12.
What is the InChIKey of 4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NEAKGEOYSGWNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4/c1-12(13-3-2-4-14(11-13)19(20,21)22)26-17(7-10-25-26)15-5-8-23-18-16(15)6-9-24-18/h2-12H,1H3,(H,23,24).
What are the key properties of 4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 356.35 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67388189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).