4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid

C12H20N2O3 — CID 112670850

IUPAC4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid
SMILESCCc1nn(C)cc1C(O)C(C)C(C)C(=O)O
InChIInChI=1S/C12H20N2O3/c1-5-10-9(6-14(4)13-10)11(15)7(2)8(3)12(16)17/h6-8,11,15H,5H2,1-4H3,(H,16,17)
InChIKeyQLWHZIIPGHUCHI-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.37
Rot. Bonds5

About 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid

4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid (PubChem CID 112670850) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid
PubChem CID112670850
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid
SMILESCCc1nn(C)cc1C(O)C(C)C(C)C(=O)O
InChIInChI=1S/C12H20N2O3/c1-5-10-9(6-14(4)13-10)11(15)7(2)8(3)12(16)17/h6-8,11,15H,5H2,1-4H3,(H,16,17)
InChIKeyQLWHZIIPGHUCHI-UHFFFAOYSA-N
XLogP1.37
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid with MolForge

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Related Compounds

methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate
CID 112671090
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
(3S)-3-acetamido-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 103955785
4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572854
2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 112671060
methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
CID 103955778
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833163
2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
CID 115990145

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid?
The IUPAC name of 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid (CID 112670850) is 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid.
What is the SMILES notation for 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid?
The canonical SMILES for 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid is CCc1nn(C)cc1C(O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid?
The InChIKey is QLWHZIIPGHUCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-10-9(6-14(4)13-10)11(15)7(2)8(3)12(16)17/h6-8,11,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid?
4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid is sourced from PubChem (CID 112670850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).