9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

C15H25N3O2 — CID 77097043

IUPAC9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCc1c(CN2CCC3(CC2)OCCCC3O)cnn1C
InChIInChI=1S/C15H25N3O2/c1-12-13(10-16-17(12)2)11-18-7-5-15(6-8-18)14(19)4-3-9-20-15/h10,14,19H,3-9,11H2,1-2H3
InChIKeyVUEGOUHXRJXKHL-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.23
Rot. Bonds2

About 9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 77097043) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID77097043
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCc1c(CN2CCC3(CC2)OCCCC3O)cnn1C
InChIInChI=1S/C15H25N3O2/c1-12-13(10-16-17(12)2)11-18-7-5-15(6-8-18)14(19)4-3-9-20-15/h10,14,19H,3-9,11H2,1-2H3
InChIKeyVUEGOUHXRJXKHL-UHFFFAOYSA-N
XLogP1.23
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 77097043) is 9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is Cc1c(CN2CCC3(CC2)OCCCC3O)cnn1C.
What is the InChIKey of 9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is VUEGOUHXRJXKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-13(10-16-17(12)2)11-18-7-5-15(6-8-18)14(19)4-3-9-20-15/h10,14,19H,3-9,11H2,1-2H3.
What are the key properties of 9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 279.38 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 77097043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).