3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid

C14H21N3O4 — CID 64889563

IUPAC3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCn1nc(C(C)C)cc1C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H21N3O4/c1-4-17-11(7-10(16-17)9(2)3)12(18)15-14(13(19)20)5-6-21-8-14/h7,9H,4-6,8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyCXQQWHJGBRITFS-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.00
Rot. Bonds5

About 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid

3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64889563) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64889563
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCn1nc(C(C)C)cc1C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H21N3O4/c1-4-17-11(7-10(16-17)9(2)3)12(18)15-14(13(19)20)5-6-21-8-14/h7,9H,4-6,8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyCXQQWHJGBRITFS-UHFFFAOYSA-N
XLogP1.00
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid (CID 64889563) is 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid is CCn1nc(C(C)C)cc1C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is CXQQWHJGBRITFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-17-11(7-10(16-17)9(2)3)12(18)15-14(13(19)20)5-6-21-8-14/h7,9H,4-6,8H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).