8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C19H23N3O3 — CID 74251195

IUPAC8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCc1cc(C)c(CN2CCC3(CC2)COC(=O)O3)c(-n2cccn2)c1
InChIInChI=1S/C19H23N3O3/c1-14-10-15(2)16(17(11-14)22-7-3-6-20-22)12-21-8-4-19(5-9-21)13-24-18(23)25-19/h3,6-7,10-11H,4-5,8-9,12-13H2,1-2H3
InChIKeyXGKSGEFVZLCLJO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.99
Rot. Bonds3

About 8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 74251195) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID74251195
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCc1cc(C)c(CN2CCC3(CC2)COC(=O)O3)c(-n2cccn2)c1
InChIInChI=1S/C19H23N3O3/c1-14-10-15(2)16(17(11-14)22-7-3-6-20-22)12-21-8-4-19(5-9-21)13-24-18(23)25-19/h3,6-7,10-11H,4-5,8-9,12-13H2,1-2H3
InChIKeyXGKSGEFVZLCLJO-UHFFFAOYSA-N
XLogP2.99
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 74251195) is 8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is Cc1cc(C)c(CN2CCC3(CC2)COC(=O)O3)c(-n2cccn2)c1.
What is the InChIKey of 8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is XGKSGEFVZLCLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-10-15(2)16(17(11-14)22-7-3-6-20-22)12-21-8-4-19(5-9-21)13-24-18(23)25-19/h3,6-7,10-11H,4-5,8-9,12-13H2,1-2H3.
What are the key properties of 8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 341.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 74251195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).