5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine

C16H15N3 — CID 1481840

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc4c(c3)CCC4)ccn2n1
InChIInChI=1S/C16H15N3/c1-11-9-16-17-15(7-8-19(16)18-11)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3
InChIKeyJOOYFSWANUGZAS-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.19
Rot. Bonds1

About 5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine

5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 1481840) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID1481840
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc4c(c3)CCC4)ccn2n1
InChIInChI=1S/C16H15N3/c1-11-9-16-17-15(7-8-19(16)18-11)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3
InChIKeyJOOYFSWANUGZAS-UHFFFAOYSA-N
XLogP3.19
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 1481840) is 5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccc4c(c3)CCC4)ccn2n1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JOOYFSWANUGZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-9-16-17-15(7-8-19(16)18-11)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 249.32 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1481840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).