2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C18H19N3 — CID 136838897

IUPAC2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)C(c1cccc3ccccc13)CCN2
InChIInChI=1S/C18H19N3/c1-2-14-12-18-19-11-10-17(21(18)20-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,17,19H,2,10-11H2,1H3
InChIKeyKQDKTJXFDNMBEM-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.00
Rot. Bonds2

About 2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838897) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838897
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)C(c1cccc3ccccc13)CCN2
InChIInChI=1S/C18H19N3/c1-2-14-12-18-19-11-10-17(21(18)20-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,17,19H,2,10-11H2,1H3
InChIKeyKQDKTJXFDNMBEM-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838897) is 2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cc2n(n1)C(c1cccc3ccccc13)CCN2.
What is the InChIKey of 2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is KQDKTJXFDNMBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-14-12-18-19-11-10-17(21(18)20-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,17,19H,2,10-11H2,1H3.
What are the key properties of 2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 277.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).