methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate

C10H15N3O2 — CID 103256778

IUPACmethyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate
SMILESCOC(=O)C(C)=CCNc1cnn(C)c1
InChIInChI=1S/C10H15N3O2/c1-8(10(14)15-3)4-5-11-9-6-12-13(2)7-9/h4,6-7,11H,5H2,1-3H3
InChIKeyLZMUASMZPLGWNH-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.95
Rot. Bonds4

About methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate

methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate (PubChem CID 103256778) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate
PubChem CID103256778
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate
SMILESCOC(=O)C(C)=CCNc1cnn(C)c1
InChIInChI=1S/C10H15N3O2/c1-8(10(14)15-3)4-5-11-9-6-12-13(2)7-9/h4,6-7,11H,5H2,1-3H3
InChIKeyLZMUASMZPLGWNH-UHFFFAOYSA-N
XLogP0.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate?
The IUPAC name of methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate (CID 103256778) is methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate is COC(=O)C(C)=CCNc1cnn(C)c1.
What is the InChIKey of methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate?
The InChIKey is LZMUASMZPLGWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8(10(14)15-3)4-5-11-9-6-12-13(2)7-9/h4,6-7,11H,5H2,1-3H3.
What are the key properties of methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate?
methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate has a molecular weight of 209.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate is sourced from PubChem (CID 103256778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).