(1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C13H19N3O3 — CID 110156225

IUPAC(1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@H](O)[C@]3(CCCO3)C2)cn1
InChIInChI=1S/C13H19N3O3/c1-2-16-7-10(6-14-16)12(18)15-8-11(17)13(9-15)4-3-5-19-13/h6-7,11,17H,2-5,8-9H2,1H3/t11-,13-/m0/s1
InChIKeyVWXAKSJFGWSQIJ-AAEUAGOBSA-N
MW265.31 g/mol
LogP0.27
Rot. Bonds2

About (1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

(1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 110156225) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID110156225
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@H](O)[C@]3(CCCO3)C2)cn1
InChIInChI=1S/C13H19N3O3/c1-2-16-7-10(6-14-16)12(18)15-8-11(17)13(9-15)4-3-5-19-13/h6-7,11,17H,2-5,8-9H2,1H3/t11-,13-/m0/s1
InChIKeyVWXAKSJFGWSQIJ-AAEUAGOBSA-N
XLogP0.27
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,9S)-7-[(1-ethylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
CID 110156033
(1-ethylpyrazol-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74236184
[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110159848
(4-ethylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159527
(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-methylmorpholine-2-carboxamide
CID 95839579
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-4-yl)methanone
CID 71929955
cyclopent-3-en-1-yl-[9-(1-ethylpyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131895640
[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone
CID 91922269
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311
2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 119248465
[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110156692
1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110156506

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 110156225) is (1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is CCn1cc(C(=O)N2C[C@H](O)[C@]3(CCCO3)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is VWXAKSJFGWSQIJ-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-16-7-10(6-14-16)12(18)15-8-11(17)13(9-15)4-3-5-19-13/h6-7,11,17H,2-5,8-9H2,1H3/t11-,13-/m0/s1.
What are the key properties of (1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
(1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 265.31 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 110156225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).