4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid

C12H19N3O3 — CID 66246701

IUPAC4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCCN(Cc1ccnn1C)C1COCC1C(=O)O
InChIInChI=1S/C12H19N3O3/c1-3-15(6-9-4-5-13-14(9)2)11-8-18-7-10(11)12(16)17/h4-5,10-11H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyDHPIGJSTGREZCF-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.34
Rot. Bonds5

About 4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid (PubChem CID 66246701) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
PubChem CID66246701
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCCN(Cc1ccnn1C)C1COCC1C(=O)O
InChIInChI=1S/C12H19N3O3/c1-3-15(6-9-4-5-13-14(9)2)11-8-18-7-10(11)12(16)17/h4-5,10-11H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyDHPIGJSTGREZCF-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid (CID 66246701) is 4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid is CCN(Cc1ccnn1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The InChIKey is DHPIGJSTGREZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-15(6-9-4-5-13-14(9)2)11-8-18-7-10(11)12(16)17/h4-5,10-11H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of 4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).