2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol

C16H26N2O5 — CID 143009416

IUPAC2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
SMILESCCc1c(OC2CC(O)CC(CO)O2)nn(C2CCOC2)c1C
InChIInChI=1S/C16H26N2O5/c1-3-14-10(2)18(11-4-5-21-9-11)17-16(14)23-15-7-12(20)6-13(8-19)22-15/h11-13,15,19-20H,3-9H2,1-2H3
InChIKeyOQMJDMBYIWOFTH-UHFFFAOYSA-N
MW326.39 g/mol
LogP0.95
Rot. Bonds5

About 2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol

2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol (PubChem CID 143009416) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
PubChem CID143009416
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
SMILESCCc1c(OC2CC(O)CC(CO)O2)nn(C2CCOC2)c1C
InChIInChI=1S/C16H26N2O5/c1-3-14-10(2)18(11-4-5-21-9-11)17-16(14)23-15-7-12(20)6-13(8-19)22-15/h11-13,15,19-20H,3-9H2,1-2H3
InChIKeyOQMJDMBYIWOFTH-UHFFFAOYSA-N
XLogP0.95
TPSA85.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
CID 143009440
[6-[4,5-dimethyl-1-(oxan-4-yl)pyrazol-3-yl]oxy-4-hydroxyoxan-2-yl]methyl ethyl carbonate;ethane;(2E,4Z)-2-ethoxy-5-methylhepta-2,4-diene
CID 143009461
(3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71029815
3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol
CID 105482134
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-methyl-4-[[4-(2-methylprop-1-enyl)phenyl]methyl]-1-(oxolan-3-yl)pyrazol-3-yl]oxyoxane-3,4,5-triol
CID 11442890
ethyl [(2R,3S,4S,5R,6S)-6-[4-[(4-ethylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl carbonate
CID 59713376
(2S,4S,6S)-2-[4-[(4-ethoxy-2-fluorophenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
CID 143395732
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-5-methyl-2-[5-methyl-1-(oxolan-3-yl)-4-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]pyrazol-3-yl]oxyoxane-3,4-diol
CID 89274227
3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine
CID 63558947
2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol
CID 177228872
ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate
CID 112707165
3-(4-ethyl-3,5-dimethylpyrazol-1-yl)oxan-4-amine
CID 61236675

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol?
The IUPAC name of 2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol (CID 143009416) is 2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for 2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for 2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol is CCc1c(OC2CC(O)CC(CO)O2)nn(C2CCOC2)c1C.
What is the InChIKey of 2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol?
The InChIKey is OQMJDMBYIWOFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-3-14-10(2)18(11-4-5-21-9-11)17-16(14)23-15-7-12(20)6-13(8-19)22-15/h11-13,15,19-20H,3-9H2,1-2H3.
What are the key properties of 2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol?
2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 326.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 143009416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).