6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine

C18H15N3 — CID 166824971

IUPAC6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnc2c(-c3cccc4c(C)cccc34)cnn2c1
InChIInChI=1S/C18H15N3/c1-12-9-19-18-17(10-20-21(18)11-12)16-8-4-6-14-13(2)5-3-7-15(14)16/h3-11H,1-2H3
InChIKeyIQBAPAWMBKXGNZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.17
Rot. Bonds1

About 6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine

6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 166824971) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID166824971
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnc2c(-c3cccc4c(C)cccc34)cnn2c1
InChIInChI=1S/C18H15N3/c1-12-9-19-18-17(10-20-21(18)11-12)16-8-4-6-14-13(2)5-3-7-15(14)16/h3-11H,1-2H3
InChIKeyIQBAPAWMBKXGNZ-UHFFFAOYSA-N
XLogP4.17
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine (CID 166824971) is 6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine is Cc1cnc2c(-c3cccc4c(C)cccc34)cnn2c1.
What is the InChIKey of 6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IQBAPAWMBKXGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-12-9-19-18-17(10-20-21(18)11-12)16-8-4-6-14-13(2)5-3-7-15(14)16/h3-11H,1-2H3.
What are the key properties of 6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine?
6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 273.34 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166824971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).