2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid

C15H22N2O3 — CID 104509362

IUPAC2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid
SMILESCCc1cc(CC2(C(=O)O)CCOC2C2CC2)n(C)n1
InChIInChI=1S/C15H22N2O3/c1-3-11-8-12(17(2)16-11)9-15(14(18)19)6-7-20-13(15)10-4-5-10/h8,10,13H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyYPXLUTJATGKXQG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.79
Rot. Bonds5

About 2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid

2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 104509362) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid
PubChem CID104509362
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid
SMILESCCc1cc(CC2(C(=O)O)CCOC2C2CC2)n(C)n1
InChIInChI=1S/C15H22N2O3/c1-3-11-8-12(17(2)16-11)9-15(14(18)19)6-7-20-13(15)10-4-5-10/h8,10,13H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyYPXLUTJATGKXQG-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid (CID 104509362) is 2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid is CCc1cc(CC2(C(=O)O)CCOC2C2CC2)n(C)n1.
What is the InChIKey of 2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is YPXLUTJATGKXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-11-8-12(17(2)16-11)9-15(14(18)19)6-7-20-13(15)10-4-5-10/h8,10,13H,3-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid?
2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 104509362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).