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

C9H9N3O3 — CID 6485394

IUPAC3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)on2)cnn1C
InChIInChI=1S/C9H9N3O3/c1-5-6(4-10-12(5)2)7-3-8(9(13)14)15-11-7/h3-4H,1-2H3,(H,13,14)
InChIKeyBTSNBPGQHKIMQJ-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.08
Rot. Bonds2

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

3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 6485394) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID6485394
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)on2)cnn1C
InChIInChI=1S/C9H9N3O3/c1-5-6(4-10-12(5)2)7-3-8(9(13)14)15-11-7/h3-4H,1-2H3,(H,13,14)
InChIKeyBTSNBPGQHKIMQJ-UHFFFAOYSA-N
XLogP1.08
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid (CID 6485394) is 3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid is Cc1c(-c2cc(C(=O)O)on2)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is BTSNBPGQHKIMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-5-6(4-10-12(5)2)7-3-8(9(13)14)15-11-7/h3-4H,1-2H3,(H,13,14).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 6485394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).