methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate

C11H18N2O3 — CID 83090437

IUPACmethyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C11H18N2O3/c1-11(2,3)9-7(6-13(4)12-9)8(14)10(15)16-5/h6,8,14H,1-5H3
InChIKeyVCNBDEQJVSGOQN-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.92
Rot. Bonds2

About methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate

methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate (PubChem CID 83090437) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate
PubChem CID83090437
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C11H18N2O3/c1-11(2,3)9-7(6-13(4)12-9)8(14)10(15)16-5/h6,8,14H,1-5H3
InChIKeyVCNBDEQJVSGOQN-UHFFFAOYSA-N
XLogP0.92
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate 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

2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid
CID 83088962
methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate
CID 83088788
ethyl 2-[(3-tert-butyl-1-methylpyrazol-4-yl)-hydroxymethyl]butanoate
CID 83093839
4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentanoic acid
CID 83094443
3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoic acid
CID 83095088
butyl 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4-hydroxybutanoate
CID 83092247
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-chloro-N-cyclopropylacetamide
CID 83094856
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
CID 83088868
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol
CID 83094621
(4-bromo-1-methylpyrazol-5-yl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 114638010
(3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol
CID 83090575

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate (CID 83090437) is methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate is COC(=O)C(O)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate?
The InChIKey is VCNBDEQJVSGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,3)9-7(6-13(4)12-9)8(14)10(15)16-5/h6,8,14H,1-5H3.
What are the key properties of methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate?
methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate has a molecular weight of 226.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate is sourced from PubChem (CID 83090437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).