2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid

C9H14N2O2Se — CID 53360296

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid
SMILESCc1cc(C)n(CC[Se]CC(=O)O)n1
InChIInChI=1S/C9H14N2O2Se/c1-7-5-8(2)11(10-7)3-4-14-6-9(12)13/h5H,3-4,6H2,1-2H3,(H,12,13)
InChIKeySSIAIQSLMSEULH-UHFFFAOYSA-N
MW261.18 g/mol
LogP1.13
Rot. Bonds5

About 2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid

2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid (PubChem CID 53360296) has the molecular formula C9H14N2O2Se and a molecular weight of 261.18 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid
PubChem CID53360296
Molecular FormulaC9H14N2O2Se
Molecular Weight261.18 g/mol
Exact Mass262.02
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid
SMILESCc1cc(C)n(CC[Se]CC(=O)O)n1
InChIInChI=1S/C9H14N2O2Se/c1-7-5-8(2)11(10-7)3-4-14-6-9(12)13/h5H,3-4,6H2,1-2H3,(H,12,13)
InChIKeySSIAIQSLMSEULH-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 64670513
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001106
2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-propan-2-ylamino]acetic acid
CID 60830854
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 115737982
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114537305
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708
2-(3,5-dimethylpyrazol-1-yl)ethyl 2,2-dimethylbutanoate
CID 126764031
3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole
CID 63810790

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid (CID 53360296) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid is Cc1cc(C)n(CC[Se]CC(=O)O)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid?
The InChIKey is SSIAIQSLMSEULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2Se/c1-7-5-8(2)11(10-7)3-4-14-6-9(12)13/h5H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid?
2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid has a molecular weight of 261.18 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid is sourced from PubChem (CID 53360296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).