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

C18H20N4 — CID 665847

IUPAC5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C18H20N4/c1-14-12-17(21-10-6-3-7-11-21)22-18(20-14)16(13-19-22)15-8-4-2-5-9-15/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3
InChIKeyZKQFIAVYHONUFC-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.70
Rot. Bonds2

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

5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 665847) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID665847
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C18H20N4/c1-14-12-17(21-10-6-3-7-11-21)22-18(20-14)16(13-19-22)15-8-4-2-5-9-15/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3
InChIKeyZKQFIAVYHONUFC-UHFFFAOYSA-N
XLogP3.70
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.70
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-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 665847) is 5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCCCC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZKQFIAVYHONUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14-12-17(21-10-6-3-7-11-21)22-18(20-14)16(13-19-22)15-8-4-2-5-9-15/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3.
What are the key properties of 5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
5-methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 292.39 g/mol, XLogP of 3.70, 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-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 665847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).