(5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol

C15H25N3O2 — CID 110156271

IUPAC(5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol
SMILESCc1nn(C)c(C)c1CN1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C15H25N3O2/c1-11-13(12(2)17(3)16-11)9-18-7-5-14(19)15(10-18)6-4-8-20-15/h14,19H,4-10H2,1-3H3/t14-,15-/m0/s1
InChIKeyWJVRSOKTBSPLRB-GJZGRUSLSA-N
MW279.38 g/mol
LogP1.15
Rot. Bonds2

About (5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol

(5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol (PubChem CID 110156271) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol
PubChem CID110156271
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol
SMILESCc1nn(C)c(C)c1CN1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C15H25N3O2/c1-11-13(12(2)17(3)16-11)9-18-7-5-14(19)15(10-18)6-4-8-20-15/h14,19H,4-10H2,1-3H3/t14-,15-/m0/s1
InChIKeyWJVRSOKTBSPLRB-GJZGRUSLSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol with MolForge

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Related Compounds

1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124963134
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 19623264
3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 65068542
9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 77097043
4-(3,5-dimethylpyrazol-1-yl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]butan-1-one
CID 110156857
N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 79238263
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272
(5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 110159473
(4R,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451713

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol (CID 110156271) is (5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol is Cc1nn(C)c(C)c1CN1CC[C@H](O)[C@]2(CCCO2)C1.
What is the InChIKey of (5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol?
The InChIKey is WJVRSOKTBSPLRB-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-13(12(2)17(3)16-11)9-18-7-5-14(19)15(10-18)6-4-8-20-15/h14,19H,4-10H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol?
(5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol has a molecular weight of 279.38 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 110156271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).