3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

C9H11N3O3 — CID 19623161

IUPAC3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCc1nn(C)cc1C1=NOC(C(=O)O)C1
InChIInChI=1S/C9H11N3O3/c1-5-6(4-12(2)10-5)7-3-8(9(13)14)15-11-7/h4,8H,3H2,1-2H3,(H,13,14)
InChIKeyQUVWSZLZALZWSQ-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.31
Rot. Bonds2

About 3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 19623161) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID19623161
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCc1nn(C)cc1C1=NOC(C(=O)O)C1
InChIInChI=1S/C9H11N3O3/c1-5-6(4-12(2)10-5)7-3-8(9(13)14)15-11-7/h4,8H,3H2,1-2H3,(H,13,14)
InChIKeyQUVWSZLZALZWSQ-UHFFFAOYSA-N
XLogP0.31
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 19623161) is 3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is Cc1nn(C)cc1C1=NOC(C(=O)O)C1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is QUVWSZLZALZWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5-6(4-12(2)10-5)7-3-8(9(13)14)15-11-7/h4,8H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 209.21 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 19623161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).