3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C11H15N3O4 — CID 114105241

IUPAC3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCCC1OCCC1C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H15N3O4/c1-2-8-6(3-4-18-8)10(15)12-9-5-7(11(16)17)13-14-9/h5-6,8H,2-4H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyUGPAOZGGQIAPTE-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.86
Rot. Bonds4

About 3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 114105241) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID114105241
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCCC1OCCC1C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H15N3O4/c1-2-8-6(3-4-18-8)10(15)12-9-5-7(11(16)17)13-14-9/h5-6,8H,2-4H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyUGPAOZGGQIAPTE-UHFFFAOYSA-N
XLogP0.86
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 114105241) is 3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is CCC1OCCC1C(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is UGPAOZGGQIAPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-8-6(3-4-18-8)10(15)12-9-5-7(11(16)17)13-14-9/h5-6,8H,2-4H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 114105241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).