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

C10H11N3O3 — CID 6484396

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)on2)c(C)n1
InChIInChI=1S/C10H11N3O3/c1-3-13-5-7(6(2)11-13)8-4-9(10(14)15)16-12-8/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyNSPMVACWQJCBIU-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.56
Rot. Bonds3

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

3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 6484396) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID6484396
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)on2)c(C)n1
InChIInChI=1S/C10H11N3O3/c1-3-13-5-7(6(2)11-13)8-4-9(10(14)15)16-12-8/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyNSPMVACWQJCBIU-UHFFFAOYSA-N
XLogP1.56
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.56
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
5-(1,3-dimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid
CID 3161121
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
3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid
CID 6485394
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
3-(3-Pyridinyl)-5-isoxazolecarboxylic acid
CID 29078582
3-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid
CID 6484395

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid (CID 6484396) is 3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid is CCn1cc(-c2cc(C(=O)O)on2)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is NSPMVACWQJCBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-13-5-7(6(2)11-13)8-4-9(10(14)15)16-12-8/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 6484396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).