3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole

C13H20N2O — CID 79920836

IUPAC3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
SMILESCc1ccn(C2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C13H20N2O/c1-11-4-8-15(14-11)12-5-9-16-13(10-12)6-2-3-7-13/h4,8,12H,2-3,5-7,9-10H2,1H3
InChIKeySZPYZMWHJFXMTR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.86
Rot. Bonds1

About 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole

3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole (PubChem CID 79920836) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
PubChem CID79920836
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
SMILESCc1ccn(C2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C13H20N2O/c1-11-4-8-15(14-11)12-5-9-16-13(10-12)6-2-3-7-13/h4,8,12H,2-3,5-7,9-10H2,1H3
InChIKeySZPYZMWHJFXMTR-UHFFFAOYSA-N
XLogP2.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole
CID 79919153
1-(6-oxaspiro[4.5]decan-9-yl)pyrazole-3-carboxylic acid
CID 79893998
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine
CID 79903246
4-bromo-3-iodo-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79907677
4-bromo-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
CID 79903564
4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
CID 79903866
1-(5-oxaspiro[3.5]nonan-8-yl)-1,2,4-triazole-3-carbonitrile
CID 79920603
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole-3-carboxylic acid
CID 79894303
5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole
CID 116618591
2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
CID 79919786
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
CID 81340557
4-(1-chloroethyl)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrazole
CID 79919826

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole?
The IUPAC name of 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole (CID 79920836) is 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole.
What is the SMILES notation for 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole?
The canonical SMILES for 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole is Cc1ccn(C2CCOC3(CCCC3)C2)n1.
What is the InChIKey of 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole?
The InChIKey is SZPYZMWHJFXMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-4-8-15(14-11)12-5-9-16-13(10-12)6-2-3-7-13/h4,8,12H,2-3,5-7,9-10H2,1H3.
What are the key properties of 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole?
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole has a molecular weight of 220.32 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole is sourced from PubChem (CID 79920836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).