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

C10H16N2O2Se — CID 53360297

IUPAC3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid
SMILESCc1cc(C)n(CC[Se]CCC(=O)O)n1
InChIInChI=1S/C10H16N2O2Se/c1-8-7-9(2)12(11-8)4-6-15-5-3-10(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyLCPZUVITDLHYHE-UHFFFAOYSA-N
MW275.21 g/mol
LogP1.52
Rot. Bonds6

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

3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid (PubChem CID 53360297) has the molecular formula C10H16N2O2Se and a molecular weight of 275.21 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid
PubChem CID53360297
Molecular FormulaC10H16N2O2Se
Molecular Weight275.21 g/mol
Exact Mass276.04
IUPAC Name3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid
SMILESCc1cc(C)n(CC[Se]CCC(=O)O)n1
InChIInChI=1S/C10H16N2O2Se/c1-8-7-9(2)12(11-8)4-6-15-5-3-10(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyLCPZUVITDLHYHE-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 51.52
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'}

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Related Compounds

(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid
CID 572875
2-(3,5-dimethyl-1H-pyrazol-1-yl)succinic acid
CID 2791626
4-(3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
CID 3159309
2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 596118
3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 3131824
3-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 2758649
(2-(3,5-Dimethyl-1-pyrazolyl)ethylthio)acetic acid
CID 3127258
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
2-(3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485412
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]propanoic acid
CID 6485707
2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 17024663
3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 767358

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid?
The IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid (CID 53360297) is 3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid.
What is the SMILES notation for 3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid?
The canonical SMILES for 3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid is Cc1cc(C)n(CC[Se]CCC(=O)O)n1.
What is the InChIKey of 3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid?
The InChIKey is LCPZUVITDLHYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2Se/c1-8-7-9(2)12(11-8)4-6-15-5-3-10(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid?
3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid has a molecular weight of 275.21 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]propanoic acid is sourced from PubChem (CID 53360297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).