1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid

C10H11N3O3 — CID 43565320

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid
SMILESCc1noc(C)c1Cn1cc(C(=O)O)cn1
InChIInChI=1S/C10H11N3O3/c1-6-9(7(2)16-12-6)5-13-4-8(3-11-13)10(14)15/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyZTXNLCURXDSEPY-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.23
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid (PubChem CID 43565320) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid
PubChem CID43565320
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid
SMILESCc1noc(C)c1Cn1cc(C(=O)O)cn1
InChIInChI=1S/C10H11N3O3/c1-6-9(7(2)16-12-6)5-13-4-8(3-11-13)10(14)15/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyZTXNLCURXDSEPY-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid (CID 43565320) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid is Cc1noc(C)c1Cn1cc(C(=O)O)cn1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is ZTXNLCURXDSEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6-9(7(2)16-12-6)5-13-4-8(3-11-13)10(14)15/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 43565320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).