5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid

C11H14N4O2 — CID 114528404

IUPAC5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1CCc1nccn1C
InChIInChI=1S/C11H14N4O2/c1-8-9(11(16)17)7-13-15(8)5-3-10-12-4-6-14(10)2/h4,6-7H,3,5H2,1-2H3,(H,16,17)
InChIKeyKEEJWFUYPCQCNI-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.87
Rot. Bonds4

About 5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid

5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid (PubChem CID 114528404) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid
PubChem CID114528404
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1CCc1nccn1C
InChIInChI=1S/C11H14N4O2/c1-8-9(11(16)17)7-13-15(8)5-3-10-12-4-6-14(10)2/h4,6-7H,3,5H2,1-2H3,(H,16,17)
InChIKeyKEEJWFUYPCQCNI-UHFFFAOYSA-N
XLogP0.87
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoropropyl)-5-methylpyrazole-4-carboxylic acid
CID 81113615
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116318
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047
1-[2-(1-methylimidazol-2-yl)ethyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645533
5-methyl-1-(4,4,4-trifluorobutyl)pyrazole-4-carboxylic acid
CID 115514373
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole
CID 114532902
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
1-[2-(1-methylimidazol-2-yl)ethyl]triazole-4-carboxylic acid
CID 114531252
3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxylic acid
CID 43565398

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid (CID 114528404) is 5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1CCc1nccn1C.
What is the InChIKey of 5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid?
The InChIKey is KEEJWFUYPCQCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8-9(11(16)17)7-13-15(8)5-3-10-12-4-6-14(10)2/h4,6-7H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid?
5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 114528404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).