2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol

C14H24N2O2 — CID 103006433

IUPAC2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol
SMILESCn1cc(CCC2(O)CC(C)(C)OC2(C)C)cn1
InChIInChI=1S/C14H24N2O2/c1-12(2)10-14(17,13(3,4)18-12)7-6-11-8-15-16(5)9-11/h8-9,17H,6-7,10H2,1-5H3
InChIKeyAEDOGJLBVLODHW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.06
Rot. Bonds3

About 2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol

2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol (PubChem CID 103006433) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol
PubChem CID103006433
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol
SMILESCn1cc(CCC2(O)CC(C)(C)OC2(C)C)cn1
InChIInChI=1S/C14H24N2O2/c1-12(2)10-14(17,13(3,4)18-12)7-6-11-8-15-16(5)9-11/h8-9,17H,6-7,10H2,1-5H3
InChIKeyAEDOGJLBVLODHW-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006532
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103006388
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103014043
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 103005851
2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
CID 103006543
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropyl]ethanol
CID 106798118
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103007085
3-amino-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006526
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol?
The IUPAC name of 2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol (CID 103006433) is 2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol?
The canonical SMILES for 2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol is Cn1cc(CCC2(O)CC(C)(C)OC2(C)C)cn1.
What is the InChIKey of 2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol?
The InChIKey is AEDOGJLBVLODHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(2)10-14(17,13(3,4)18-12)7-6-11-8-15-16(5)9-11/h8-9,17H,6-7,10H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol?
2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol has a molecular weight of 252.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol is sourced from PubChem (CID 103006433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).