methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate

C11H17N3O3 — CID 55006160

IUPACmethyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1ccnn1C
InChIInChI=1S/C11H17N3O3/c1-13(8-4-5-10(15)17-3)11(16)9-6-7-12-14(9)2/h6-7H,4-5,8H2,1-3H3
InChIKeyOODUGSHJCMVIKI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.45
Rot. Bonds5

About methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate

methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate (PubChem CID 55006160) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate
PubChem CID55006160
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1ccnn1C
InChIInChI=1S/C11H17N3O3/c1-13(8-4-5-10(15)17-3)11(16)9-6-7-12-14(9)2/h6-7H,4-5,8H2,1-3H3
InChIKeyOODUGSHJCMVIKI-UHFFFAOYSA-N
XLogP0.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate (CID 55006160) is methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate is COC(=O)CCCN(C)C(=O)c1ccnn1C.
What is the InChIKey of methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate?
The InChIKey is OODUGSHJCMVIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13(8-4-5-10(15)17-3)11(16)9-6-7-12-14(9)2/h6-7H,4-5,8H2,1-3H3.
What are the key properties of methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate?
methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate has a molecular weight of 239.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate is sourced from PubChem (CID 55006160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).