(3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one

C10H15N3O2 — CID 95757894

IUPAC(3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one
SMILESC[C@@H]1C[C@@H](NCCn2cccn2)C(=O)O1
InChIInChI=1S/C10H15N3O2/c1-8-7-9(10(14)15-8)11-4-6-13-5-2-3-12-13/h2-3,5,8-9,11H,4,6-7H2,1H3/t8-,9-/m1/s1
InChIKeyNWICMVUVXCBBKP-RKDXNWHRSA-N
MW209.25 g/mol
LogP0.18
Rot. Bonds4

About (3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one

(3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one (PubChem CID 95757894) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one
PubChem CID95757894
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one
SMILESC[C@@H]1C[C@@H](NCCn2cccn2)C(=O)O1
InChIInChI=1S/C10H15N3O2/c1-8-7-9(10(14)15-8)11-4-6-13-5-2-3-12-13/h2-3,5,8-9,11H,4,6-7H2,1H3/t8-,9-/m1/s1
InChIKeyNWICMVUVXCBBKP-RKDXNWHRSA-N
XLogP0.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one?
The IUPAC name of (3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one (CID 95757894) is (3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one.
What is the SMILES notation for (3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one?
The canonical SMILES for (3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one is C[C@@H]1C[C@@H](NCCn2cccn2)C(=O)O1.
What is the InChIKey of (3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one?
The InChIKey is NWICMVUVXCBBKP-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8-7-9(10(14)15-8)11-4-6-13-5-2-3-12-13/h2-3,5,8-9,11H,4,6-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one?
(3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-methyl-3-(2-pyrazol-1-ylethylamino)oxolan-2-one is sourced from PubChem (CID 95757894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).