2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H25N3 — CID 136841144

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC1C(C)CNc2cc(C3CC4CCC3C4)nn21
InChIInChI=1S/C16H25N3/c1-3-15-10(2)9-17-16-8-14(18-19(15)16)13-7-11-4-5-12(13)6-11/h8,10-13,15,17H,3-7,9H2,1-2H3
InChIKeyXZFJTVNDFGMZMC-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.80
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841144) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841144
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC1C(C)CNc2cc(C3CC4CCC3C4)nn21
InChIInChI=1S/C16H25N3/c1-3-15-10(2)9-17-16-8-14(18-19(15)16)13-7-11-4-5-12(13)6-11/h8,10-13,15,17H,3-7,9H2,1-2H3
InChIKeyXZFJTVNDFGMZMC-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841144) is 2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCC1C(C)CNc2cc(C3CC4CCC3C4)nn21.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is XZFJTVNDFGMZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-15-10(2)9-17-16-8-14(18-19(15)16)13-7-11-4-5-12(13)6-11/h8,10-13,15,17H,3-7,9H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 259.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).