5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole

C11H18N2O2 — CID 145143569

IUPAC5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole
SMILESCCOCc1cc([C@H]2CC[C@H](C)O2)n[nH]1
InChIInChI=1S/C11H18N2O2/c1-3-14-7-9-6-10(13-12-9)11-5-4-8(2)15-11/h6,8,11H,3-5,7H2,1-2H3,(H,12,13)/t8-,11+/m0/s1
InChIKeyKAPWLBPPVXTBJA-GZMMTYOYSA-N
MW210.28 g/mol
LogP2.19
Rot. Bonds4

About 5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole

5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole (PubChem CID 145143569) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole
PubChem CID145143569
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole
SMILESCCOCc1cc([C@H]2CC[C@H](C)O2)n[nH]1
InChIInChI=1S/C11H18N2O2/c1-3-14-7-9-6-10(13-12-9)11-5-4-8(2)15-11/h6,8,11H,3-5,7H2,1-2H3,(H,12,13)/t8-,11+/m0/s1
InChIKeyKAPWLBPPVXTBJA-GZMMTYOYSA-N
XLogP2.19
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole?
The IUPAC name of 5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole (CID 145143569) is 5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole?
The canonical SMILES for 5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole is CCOCc1cc([C@H]2CC[C@H](C)O2)n[nH]1.
What is the InChIKey of 5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole?
The InChIKey is KAPWLBPPVXTBJA-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-14-7-9-6-10(13-12-9)11-5-4-8(2)15-11/h6,8,11H,3-5,7H2,1-2H3,(H,12,13)/t8-,11+/m0/s1.
What are the key properties of 5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole?
5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole has a molecular weight of 210.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-3-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole is sourced from PubChem (CID 145143569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).