[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol

C16H26N2O2 — CID 90460255

IUPAC[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol
SMILESCn1ncc(CO)c1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C16H26N2O2/c1-15(2)10-16(20-11-15)6-4-12(5-7-16)14-13(9-19)8-17-18(14)3/h8,12,19H,4-7,9-11H2,1-3H3
InChIKeyMVBSSCBJYKYQLC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.76
Rot. Bonds2

About [5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol

[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol (PubChem CID 90460255) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol
PubChem CID90460255
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol
SMILESCn1ncc(CO)c1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C16H26N2O2/c1-15(2)10-16(20-11-15)6-4-12(5-7-16)14-13(9-19)8-17-18(14)3/h8,12,19H,4-7,9-11H2,1-3H3
InChIKeyMVBSSCBJYKYQLC-UHFFFAOYSA-N
XLogP2.76
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-Difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 114224504
2-(3,3-Difluorocyclohexyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 114224525
2-fluoro-1-[1-methyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]ethan-1-ol
CID 165659726
cyclohexyl[1-(1,1-dimethylpropyl)-3-methyl-1H-pyrazol-4-yl]methanol
CID 66778407
2-[[3-(3,3-Dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 90460258
2-[[5-(3,3-Dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 90460925
N'-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 117610227
N'-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 118685712
5-Ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 129296368
5-Ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 129296486
1-Methyl-5-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
CID 129297086
N'-[1-[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]ethyl]-N-methylethane-1,2-diamine
CID 140698596

Frequently Asked Questions

What is the IUPAC name of [5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol?
The IUPAC name of [5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol (CID 90460255) is [5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol is Cn1ncc(CO)c1C1CCC2(CC1)CC(C)(C)CO2.
What is the InChIKey of [5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol?
The InChIKey is MVBSSCBJYKYQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2)10-16(20-11-15)6-4-12(5-7-16)14-13(9-19)8-17-18(14)3/h8,12,19H,4-7,9-11H2,1-3H3.
What are the key properties of [5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol?
[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 90460255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).