6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane

C15H25N3 — CID 97159669

IUPAC6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane
SMILESCCn1nc(C)c(CN2CCC3(CCC3)C2)c1C
InChIInChI=1S/C15H25N3/c1-4-18-13(3)14(12(2)16-18)10-17-9-8-15(11-17)6-5-7-15/h4-11H2,1-3H3
InChIKeyQTPZHCUKTYBJHS-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.90
Rot. Bonds3

About 6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane

6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane (PubChem CID 97159669) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane
PubChem CID97159669
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane
SMILESCCn1nc(C)c(CN2CCC3(CCC3)C2)c1C
InChIInChI=1S/C15H25N3/c1-4-18-13(3)14(12(2)16-18)10-17-9-8-15(11-17)6-5-7-15/h4-11H2,1-3H3
InChIKeyQTPZHCUKTYBJHS-UHFFFAOYSA-N
XLogP2.90
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane?
The IUPAC name of 6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane (CID 97159669) is 6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane?
The canonical SMILES for 6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane is CCn1nc(C)c(CN2CCC3(CCC3)C2)c1C.
What is the InChIKey of 6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane?
The InChIKey is QTPZHCUKTYBJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-18-13(3)14(12(2)16-18)10-17-9-8-15(11-17)6-5-7-15/h4-11H2,1-3H3.
What are the key properties of 6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane?
6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane has a molecular weight of 247.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane is sourced from PubChem (CID 97159669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).