5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid

C11H15N3O4 — CID 102687667

IUPAC5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCn1cc(NC(=O)C2CCC(C(=O)O)O2)cn1
InChIInChI=1S/C11H15N3O4/c1-2-14-6-7(5-12-14)13-10(15)8-3-4-9(18-8)11(16)17/h5-6,8-9H,2-4H2,1H3,(H,13,15)(H,16,17)
InChIKeyLNAWNBGEKOKKHC-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.47
Rot. Bonds4

About 5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid

5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687667) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102687667
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCn1cc(NC(=O)C2CCC(C(=O)O)O2)cn1
InChIInChI=1S/C11H15N3O4/c1-2-14-6-7(5-12-14)13-10(15)8-3-4-9(18-8)11(16)17/h5-6,8-9H,2-4H2,1H3,(H,13,15)(H,16,17)
InChIKeyLNAWNBGEKOKKHC-UHFFFAOYSA-N
XLogP0.47
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
trans-(1R,2R)-2-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51392378
(1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100569266
(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192
N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972
N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 47813826
(2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide
CID 120788956
1-(5-chloropyrimidin-2-yl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 71980297
(2S,5R)-5-(aminomethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794258
(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944368
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid (CID 102687667) is 5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid is CCn1cc(NC(=O)C2CCC(C(=O)O)O2)cn1.
What is the InChIKey of 5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is LNAWNBGEKOKKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-14-6-7(5-12-14)13-10(15)8-3-4-9(18-8)11(16)17/h5-6,8-9H,2-4H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid?
5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).