7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane

C16H27N3O — CID 110197982

IUPAC7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
SMILESCCn1ncc(CN2CCC3(CCC3OC)CC2)c1C
InChIInChI=1S/C16H27N3O/c1-4-19-13(2)14(11-17-19)12-18-9-7-16(8-10-18)6-5-15(16)20-3/h11,15H,4-10,12H2,1-3H3
InChIKeyUVRNWHCKEZLPSS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.60
Rot. Bonds4

About 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane

7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane (PubChem CID 110197982) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
PubChem CID110197982
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
SMILESCCn1ncc(CN2CCC3(CCC3OC)CC2)c1C
InChIInChI=1S/C16H27N3O/c1-4-19-13(2)14(11-17-19)12-18-9-7-16(8-10-18)6-5-15(16)20-3/h11,15H,4-10,12H2,1-3H3
InChIKeyUVRNWHCKEZLPSS-UHFFFAOYSA-N
XLogP2.60
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane (CID 110197982) is 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane is CCn1ncc(CN2CCC3(CCC3OC)CC2)c1C.
What is the InChIKey of 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
The InChIKey is UVRNWHCKEZLPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19-13(2)14(11-17-19)12-18-9-7-16(8-10-18)6-5-15(16)20-3/h11,15H,4-10,12H2,1-3H3.
What are the key properties of 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane has a molecular weight of 277.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 110197982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).