5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid

C11H14N4O2 — CID 61405506

IUPAC5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCc1nccn1-c1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C11H14N4O2/c1-4-8-12-5-6-15(8)10-9(11(16)17)7(2)13-14(10)3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyAPHHENCGZSWPAP-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.17
Rot. Bonds3

About 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid

5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 61405506) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID61405506
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCc1nccn1-c1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C11H14N4O2/c1-4-8-12-5-6-15(8)10-9(11(16)17)7(2)13-14(10)3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyAPHHENCGZSWPAP-UHFFFAOYSA-N
XLogP1.17
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid (CID 61405506) is 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid is CCc1nccn1-c1c(C(=O)O)c(C)nn1C.
What is the InChIKey of 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is APHHENCGZSWPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-8-12-5-6-15(8)10-9(11(16)17)7(2)13-14(10)3/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 61405506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).