5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C18H14N4 — CID 42640811

IUPAC5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C18H14N4/c1-13-11-17(15-7-9-19-10-8-15)22-18(21-13)16(12-20-22)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyBDYLEIKJEYPCEO-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.77
Rot. Bonds2

About 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 42640811) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID42640811
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C18H14N4/c1-13-11-17(15-7-9-19-10-8-15)22-18(21-13)16(12-20-22)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyBDYLEIKJEYPCEO-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 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 42640811) is 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BDYLEIKJEYPCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-11-17(15-7-9-19-10-8-15)22-18(21-13)16(12-20-22)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
5-methyl-3-phenyl-7-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 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 42640811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).