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

C18H16N4 — CID 118056000

IUPAC4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2cn(-c3ccnc4[nH]ccc34)nc2C)cc1
InChIInChI=1S/C18H16N4/c1-12-3-5-14(6-4-12)16-11-22(21-13(16)2)17-8-10-20-18-15(17)7-9-19-18/h3-11H,1-2H3,(H,19,20)
InChIKeyNZNWXBZDVHBOAJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.03
Rot. Bonds2

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

4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118056000) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID118056000
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2cn(-c3ccnc4[nH]ccc34)nc2C)cc1
InChIInChI=1S/C18H16N4/c1-12-3-5-14(6-4-12)16-11-22(21-13(16)2)17-8-10-20-18-15(17)7-9-19-18/h3-11H,1-2H3,(H,19,20)
InChIKeyNZNWXBZDVHBOAJ-UHFFFAOYSA-N
XLogP4.03
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine (CID 118056000) is 4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine is Cc1ccc(-c2cn(-c3ccnc4[nH]ccc34)nc2C)cc1.
What is the InChIKey of 4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NZNWXBZDVHBOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-12-3-5-14(6-4-12)16-11-22(21-13(16)2)17-8-10-20-18-15(17)7-9-19-18/h3-11H,1-2H3,(H,19,20).
What are the key properties of 4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 288.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118056000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).