4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid

C11H16N4O4 — CID 66238549

IUPAC4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCCn1cc(NC(=O)NC2COCC2C(=O)O)cn1
InChIInChI=1S/C11H16N4O4/c1-2-15-4-7(3-12-15)13-11(18)14-9-6-19-5-8(9)10(16)17/h3-4,8-9H,2,5-6H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyAMGIRTYJIIDBBP-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.12
Rot. Bonds4

About 4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid

4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66238549) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66238549
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCCn1cc(NC(=O)NC2COCC2C(=O)O)cn1
InChIInChI=1S/C11H16N4O4/c1-2-15-4-7(3-12-15)13-11(18)14-9-6-19-5-8(9)10(16)17/h3-4,8-9H,2,5-6H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyAMGIRTYJIIDBBP-UHFFFAOYSA-N
XLogP0.12
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(1-ethylpyrazol-4-yl)carbamoylamino]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

Related Compounds

4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238972
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 47200172
4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240339
5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687667
4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238579
4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240931
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240753
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 96997575
4-[(1-ethylpyrazol-4-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991438

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid (CID 66238549) is 4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid is CCn1cc(NC(=O)NC2COCC2C(=O)O)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is AMGIRTYJIIDBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-2-15-4-7(3-12-15)13-11(18)14-9-6-19-5-8(9)10(16)17/h3-4,8-9H,2,5-6H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).