6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C18H14N4 — CID 5329456

IUPAC6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1
InChIInChI=1S/C18H14N4/c1-13-2-4-14(5-3-13)16-10-20-18-17(11-21-22(18)12-16)15-6-8-19-9-7-15/h2-12H,1H3
InChIKeyURWRJGFOAIMZBL-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.77
Rot. Bonds2

About 6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329456) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329456
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1
InChIInChI=1S/C18H14N4/c1-13-2-4-14(5-3-13)16-10-20-18-17(11-21-22(18)12-16)15-6-8-19-9-7-15/h2-12H,1H3
InChIKeyURWRJGFOAIMZBL-UHFFFAOYSA-N
XLogP3.77
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 5329456) is 6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is URWRJGFOAIMZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-2-4-14(5-3-13)16-10-20-18-17(11-21-22(18)12-16)15-6-8-19-9-7-15/h2-12H,1H3.
What are the key properties of 6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 286.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).