4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid

C12H18N4O4 — CID 66238972

IUPAC4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCC(C)n1cc(NC(=O)NC2COCC2C(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-7(2)16-4-8(3-13-16)14-12(19)15-10-6-20-5-9(10)11(17)18/h3-4,7,9-10H,5-6H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyYMPWUPSUZXWCPU-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.69
Rot. Bonds4

About 4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid

4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66238972) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66238972
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCC(C)n1cc(NC(=O)NC2COCC2C(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-7(2)16-4-8(3-13-16)14-12(19)15-10-6-20-5-9(10)11(17)18/h3-4,7,9-10H,5-6H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyYMPWUPSUZXWCPU-UHFFFAOYSA-N
XLogP0.69
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid (CID 66238972) is 4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid is CC(C)n1cc(NC(=O)NC2COCC2C(=O)O)cn1.
What is the InChIKey of 4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is YMPWUPSUZXWCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-7(2)16-4-8(3-13-16)14-12(19)15-10-6-20-5-9(10)11(17)18/h3-4,7,9-10H,5-6H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).