(2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C16H25N3O3 — CID 91917948

IUPAC(2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3cc(C)nn3C)CC2)C1
InChIInChI=1S/C16H25N3O3/c1-12-10-14(18(2)17-12)15(20)19-7-5-16(6-8-19)11-13(21-3)4-9-22-16/h10,13H,4-9,11H2,1-3H3
InChIKeyUQWMTCOCGVYWSU-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.53
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

(2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 91917948) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID91917948
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3cc(C)nn3C)CC2)C1
InChIInChI=1S/C16H25N3O3/c1-12-10-14(18(2)17-12)15(20)19-7-5-16(6-8-19)11-13(21-3)4-9-22-16/h10,13H,4-9,11H2,1-3H3
InChIKeyUQWMTCOCGVYWSU-UHFFFAOYSA-N
XLogP1.53
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 91917948) is (2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is COC1CCOC2(CCN(C(=O)c3cc(C)nn3C)CC2)C1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is UQWMTCOCGVYWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12-10-14(18(2)17-12)15(20)19-7-5-16(6-8-19)11-13(21-3)4-9-22-16/h10,13H,4-9,11H2,1-3H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 307.39 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 91917948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).