1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone

C19H23N3O4 — CID 51109876

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCOc1ccccc1-c1cc(C(=O)N2CCC3(CC2)OCCO3)[nH]n1
InChIInChI=1S/C19H23N3O4/c1-2-24-17-6-4-3-5-14(17)15-13-16(21-20-15)18(23)22-9-7-19(8-10-22)25-11-12-26-19/h3-6,13H,2,7-12H2,1H3,(H,20,21)
InChIKeyCQZNDQGXOJUYCH-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.45
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 51109876) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID51109876
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCOc1ccccc1-c1cc(C(=O)N2CCC3(CC2)OCCO3)[nH]n1
InChIInChI=1S/C19H23N3O4/c1-2-24-17-6-4-3-5-14(17)15-13-16(21-20-15)18(23)22-9-7-19(8-10-22)25-11-12-26-19/h3-6,13H,2,7-12H2,1H3,(H,20,21)
InChIKeyCQZNDQGXOJUYCH-UHFFFAOYSA-N
XLogP2.45
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 20864943
(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 71877392
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 135094324
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134060202
[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 71822697
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046466
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrol-3-yl]methanone
CID 42665678
[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 51495377
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
CID 4283520
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 51109876) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone is CCOc1ccccc1-c1cc(C(=O)N2CCC3(CC2)OCCO3)[nH]n1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is CQZNDQGXOJUYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-24-17-6-4-3-5-14(17)15-13-16(21-20-15)18(23)22-9-7-19(8-10-22)25-11-12-26-19/h3-6,13H,2,7-12H2,1H3,(H,20,21).
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 357.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 51109876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).