3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid

C10H17N3O2 — CID 165475243

IUPAC3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid
SMILESCCc1cnn(CC(C)(NC)C(=O)O)c1
InChIInChI=1S/C10H17N3O2/c1-4-8-5-12-13(6-8)7-10(2,11-3)9(14)15/h5-6,11H,4,7H2,1-3H3,(H,14,15)
InChIKeyWFPSUZPVCNCCRZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.51
Rot. Bonds5

About 3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid

3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid (PubChem CID 165475243) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid
PubChem CID165475243
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid
SMILESCCc1cnn(CC(C)(NC)C(=O)O)c1
InChIInChI=1S/C10H17N3O2/c1-4-8-5-12-13(6-8)7-10(2,11-3)9(14)15/h5-6,11H,4,7H2,1-3H3,(H,14,15)
InChIKeyWFPSUZPVCNCCRZ-UHFFFAOYSA-N
XLogP0.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-ethylpyrazol-1-yl)-2-methylpentanoic acid
CID 165495298
4-[(4-ethylpyrazol-1-yl)methyl]benzoic acid
CID 130219911
3-[tert-butyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 62125700
1,4-diethylpyrazole;ethane
CID 143641951
4-ethylpyrazole-1-carboxylic acid
CID 21320246
2-[(1-ethylpyrazol-4-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79789662
2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 78969503
2-ethyl-2-[(1-ethylpyrazol-4-yl)methylamino]butanoic acid
CID 79804266
N,4-diethylpyrazole-1-carboxamide
CID 155403649
2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid
CID 79628887
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 81499103

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid?
The IUPAC name of 3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid (CID 165475243) is 3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid?
The canonical SMILES for 3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid is CCc1cnn(CC(C)(NC)C(=O)O)c1.
What is the InChIKey of 3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid?
The InChIKey is WFPSUZPVCNCCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-8-5-12-13(6-8)7-10(2,11-3)9(14)15/h5-6,11H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid?
3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid is sourced from PubChem (CID 165475243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).