3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one

C11H17N3O3 — CID 119032693

IUPAC3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one
SMILESCOCCn1ccc(NC2CC(C)OC2=O)n1
InChIInChI=1S/C11H17N3O3/c1-8-7-9(11(15)17-8)12-10-3-4-14(13-10)5-6-16-2/h3-4,8-9H,5-7H2,1-2H3,(H,12,13)
InChIKeyRBNPJZCMUKLYMO-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.65
Rot. Bonds5

About 3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one

3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one (PubChem CID 119032693) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one
PubChem CID119032693
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one
SMILESCOCCn1ccc(NC2CC(C)OC2=O)n1
InChIInChI=1S/C11H17N3O3/c1-8-7-9(11(15)17-8)12-10-3-4-14(13-10)5-6-16-2/h3-4,8-9H,5-7H2,1-2H3,(H,12,13)
InChIKeyRBNPJZCMUKLYMO-UHFFFAOYSA-N
XLogP0.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one?
The IUPAC name of 3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one (CID 119032693) is 3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one?
The canonical SMILES for 3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one is COCCn1ccc(NC2CC(C)OC2=O)n1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one?
The InChIKey is RBNPJZCMUKLYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-7-9(11(15)17-8)12-10-3-4-14(13-10)5-6-16-2/h3-4,8-9H,5-7H2,1-2H3,(H,12,13).
What are the key properties of 3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one?
3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one has a molecular weight of 239.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one is sourced from PubChem (CID 119032693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).