5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid

C11H15N3O4 — CID 102688336

IUPAC5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCn2cccn2)O1
InChIInChI=1S/C11H15N3O4/c15-10(8-2-3-9(18-8)11(16)17)12-5-7-14-6-1-4-13-14/h1,4,6,8-9H,2-3,5,7H2,(H,12,15)(H,16,17)
InChIKeyBGEKPZVPRLBVMT-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.37
Rot. Bonds5

About 5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid

5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102688336) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102688336
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCn2cccn2)O1
InChIInChI=1S/C11H15N3O4/c15-10(8-2-3-9(18-8)11(16)17)12-5-7-14-6-1-4-13-14/h1,4,6,8-9H,2-3,5,7H2,(H,12,15)(H,16,17)
InChIKeyBGEKPZVPRLBVMT-UHFFFAOYSA-N
XLogP-0.37
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978578
cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide
CID 64562287
2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid
CID 61461201
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61460848
5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688675
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
(2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154788478
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide
CID 61460772

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid (CID 102688336) is 5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NCCn2cccn2)O1.
What is the InChIKey of 5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is BGEKPZVPRLBVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-10(8-2-3-9(18-8)11(16)17)12-5-7-14-6-1-4-13-14/h1,4,6,8-9H,2-3,5,7H2,(H,12,15)(H,16,17).
What are the key properties of 5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid?
5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102688336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).