3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen

C13H23N3O — CID 143913757

IUPAC3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen
SMILESCC1CC2(CCN(Cc3ccn[nH]3)CC2)CO1.[H][H]
InChIInChI=1S/C13H21N3O.H2/c1-11-8-13(10-17-11)3-6-16(7-4-13)9-12-2-5-14-15-12;/h2,5,11H,3-4,6-10H2,1H3,(H,14,15);1H
InChIKeyROFJYRQUWORZOB-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.05
Rot. Bonds2

About 3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen

3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen (PubChem CID 143913757) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen
PubChem CID143913757
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen
SMILESCC1CC2(CCN(Cc3ccn[nH]3)CC2)CO1.[H][H]
InChIInChI=1S/C13H21N3O.H2/c1-11-8-13(10-17-11)3-6-16(7-4-13)9-12-2-5-14-15-12;/h2,5,11H,3-4,6-10H2,1H3,(H,14,15);1H
InChIKeyROFJYRQUWORZOB-UHFFFAOYSA-N
XLogP2.05
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen?
The IUPAC name of 3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen (CID 143913757) is 3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen.
What is the SMILES notation for 3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen?
The canonical SMILES for 3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen is CC1CC2(CCN(Cc3ccn[nH]3)CC2)CO1.[H][H].
What is the InChIKey of 3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen?
The InChIKey is ROFJYRQUWORZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.H2/c1-11-8-13(10-17-11)3-6-16(7-4-13)9-12-2-5-14-15-12;/h2,5,11H,3-4,6-10H2,1H3,(H,14,15);1H.
What are the key properties of 3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen?
3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen has a molecular weight of 237.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(1H-pyrazol-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;molecular hydrogen is sourced from PubChem (CID 143913757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).