methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate

C11H17N3O3 — CID 47266585

IUPACmethyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)14-7-8(5-13-14)10(16)12-6-9(15)17-4/h5,7H,6H2,1-4H3,(H,12,16)
InChIKeyHWHYJYYBXHSBRV-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.54
Rot. Bonds3

About methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate

methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate (PubChem CID 47266585) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate
PubChem CID47266585
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)14-7-8(5-13-14)10(16)12-6-9(15)17-4/h5,7H,6H2,1-4H3,(H,12,16)
InChIKeyHWHYJYYBXHSBRV-UHFFFAOYSA-N
XLogP0.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate (CID 47266585) is methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cnn(C(C)(C)C)c1.
What is the InChIKey of methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is HWHYJYYBXHSBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,3)14-7-8(5-13-14)10(16)12-6-9(15)17-4/h5,7H,6H2,1-4H3,(H,12,16).
What are the key properties of methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate?
methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 239.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-tert-butylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 47266585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).