2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid

C13H22N2O2 — CID 83149292

IUPAC2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid
SMILESCCn1nc(C)cc1CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C13H22N2O2/c1-6-15-11(7-10(4)14-15)8-13(5,9(2)3)12(16)17/h7,9H,6,8H2,1-5H3,(H,16,17)
InChIKeyXYQBUHPSMSLFFM-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.50
Rot. Bonds5

About 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid

2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid (PubChem CID 83149292) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid
PubChem CID83149292
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid
SMILESCCn1nc(C)cc1CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C13H22N2O2/c1-6-15-11(7-10(4)14-15)8-13(5,9(2)3)12(16)17/h7,9H,6,8H2,1-5H3,(H,16,17)
InChIKeyXYQBUHPSMSLFFM-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487287
3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 66036946
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylpentan-2-one
CID 115779757
5-[2-(chloromethyl)-2-ethylbutyl]-1-ethyl-3-methylpyrazole
CID 66035159
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554959
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfinyl]butanoic acid
CID 105355580
5-[2-(bromomethyl)-2-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66049564
2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid
CID 25248551
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836
3-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106190012

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid (CID 83149292) is 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid is CCn1nc(C)cc1CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid?
The InChIKey is XYQBUHPSMSLFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-15-11(7-10(4)14-15)8-13(5,9(2)3)12(16)17/h7,9H,6,8H2,1-5H3,(H,16,17).
What are the key properties of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid?
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid has a molecular weight of 238.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 83149292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).