4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid

C11H15N3O4 — CID 66246233

IUPAC4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1cn[nH]c1)C1COCC1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-14(10(15)7-3-12-13-4-7)9-6-18-5-8(9)11(16)17/h3-4,8-9H,2,5-6H2,1H3,(H,12,13)(H,16,17)
InChIKeyPCCJYSNXJWBZHF-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.03
Rot. Bonds4

About 4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66246233) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66246233
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1cn[nH]c1)C1COCC1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-14(10(15)7-3-12-13-4-7)9-6-18-5-8(9)11(16)17/h3-4,8-9H,2,5-6H2,1H3,(H,12,13)(H,16,17)
InChIKeyPCCJYSNXJWBZHF-UHFFFAOYSA-N
XLogP-0.03
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66253972
4-[ethyl-(5-methylpyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245826
4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66246419
4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66245647
4-[(3,4-dihydroxybenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107728145
4-[(4-bromo-3-chlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 81290208
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016
4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66245238
4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66246620
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
4-[ethyl-(2-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66248007
4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245241

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid (CID 66246233) is 4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)c1cn[nH]c1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is PCCJYSNXJWBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-14(10(15)7-3-12-13-4-7)9-6-18-5-8(9)11(16)17/h3-4,8-9H,2,5-6H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).