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

C18H16N4 — CID 57480633

IUPAC4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(c1ccccc1)n1cc(-c2ccnc3[nH]ccc23)cn1
InChIInChI=1S/C18H16N4/c1-13(14-5-3-2-4-6-14)22-12-15(11-21-22)16-7-9-19-18-17(16)8-10-20-18/h2-13H,1H3,(H,19,20)
InChIKeyXXFCTCGGKZDPCK-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.04
Rot. Bonds3

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

4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 57480633) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID57480633
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(c1ccccc1)n1cc(-c2ccnc3[nH]ccc23)cn1
InChIInChI=1S/C18H16N4/c1-13(14-5-3-2-4-6-14)22-12-15(11-21-22)16-7-9-19-18-17(16)8-10-20-18/h2-13H,1H3,(H,19,20)
InChIKeyXXFCTCGGKZDPCK-UHFFFAOYSA-N
XLogP4.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 57480633) is 4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is CC(c1ccccc1)n1cc(-c2ccnc3[nH]ccc23)cn1.
What is the InChIKey of 4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XXFCTCGGKZDPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-13(14-5-3-2-4-6-14)22-12-15(11-21-22)16-7-9-19-18-17(16)8-10-20-18/h2-13H,1H3,(H,19,20).
What are the key properties of 4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 288.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 57480633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).