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

C9H9N3O3 — CID 3161121

IUPAC5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1nn(C)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C9H9N3O3/c1-5-6(4-12(2)10-5)8-3-7(9(13)14)11-15-8/h3-4H,1-2H3,(H,13,14)
InChIKeyPOAACBFRLKLYDU-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.08
Rot. Bonds2

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

5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 3161121) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID3161121
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1nn(C)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C9H9N3O3/c1-5-6(4-12(2)10-5)8-3-7(9(13)14)11-15-8/h3-4H,1-2H3,(H,13,14)
InChIKeyPOAACBFRLKLYDU-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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Related Compounds

1-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 4912935
3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
CID 3161123
5-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 3159574
5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid
CID 6484393
1-[(3-Ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid
CID 24980480
1-[(3-Ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylic acid
CID 24980534
1-[(3-Ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid
CID 42601309
3-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid
CID 6484396
3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid
CID 6485394
1-[(3-Methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid
CID 42601310
4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid
CID 4912975
5-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 3161122

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid (CID 3161121) is 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid is Cc1nn(C)cc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is POAACBFRLKLYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-5-6(4-12(2)10-5)8-3-7(9(13)14)11-15-8/h3-4H,1-2H3,(H,13,14).
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid?
5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-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 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 3161121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).