9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C16H25N3O2 — CID 72848253

IUPAC9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCc1n[nH]c(C)c1CCCN1CC2(CCOC2)CCC1=O
InChIInChI=1S/C16H25N3O2/c1-12-14(13(2)18-17-12)4-3-8-19-10-16(6-5-15(19)20)7-9-21-11-16/h3-11H2,1-2H3,(H,17,18)
InChIKeyNYRVFMMAWLDLMX-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.99
Rot. Bonds4

About 9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72848253) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72848253
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCc1n[nH]c(C)c1CCCN1CC2(CCOC2)CCC1=O
InChIInChI=1S/C16H25N3O2/c1-12-14(13(2)18-17-12)4-3-8-19-10-16(6-5-15(19)20)7-9-21-11-16/h3-11H2,1-2H3,(H,17,18)
InChIKeyNYRVFMMAWLDLMX-UHFFFAOYSA-N
XLogP1.99
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72848253) is 9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one is Cc1n[nH]c(C)c1CCCN1CC2(CCOC2)CCC1=O.
What is the InChIKey of 9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is NYRVFMMAWLDLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-14(13(2)18-17-12)4-3-8-19-10-16(6-5-15(19)20)7-9-21-11-16/h3-11H2,1-2H3,(H,17,18).
What are the key properties of 9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 291.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72848253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).