methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate

C12H19N3O3 — CID 54942474

IUPACmethyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CCn1cccn1
InChIInChI=1S/C12H19N3O3/c1-14(8-3-5-12(17)18-2)11(16)6-10-15-9-4-7-13-15/h4,7,9H,3,5-6,8,10H2,1-2H3
InChIKeyULTXOKZMKFEPMW-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.68
Rot. Bonds7

About methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate

methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate (PubChem CID 54942474) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate
PubChem CID54942474
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CCn1cccn1
InChIInChI=1S/C12H19N3O3/c1-14(8-3-5-12(17)18-2)11(16)6-10-15-9-4-7-13-15/h4,7,9H,3,5-6,8,10H2,1-2H3
InChIKeyULTXOKZMKFEPMW-UHFFFAOYSA-N
XLogP0.68
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-pyrazol-1-ylpropanamide
CID 54993303
methyl 4-[3-ethoxypropanoyl(methyl)amino]butanoate
CID 55210221
methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate
CID 55006160
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
N-(2-methoxyethyl)-N-methyl-2-pyrazol-1-ylacetamide
CID 91211379
methyl 4-[methyl-[2-(2-methylphenyl)acetyl]amino]butanoate
CID 54943470
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
CID 55005922
methyl 4-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-methylamino]butanoate
CID 61107923
methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate
CID 60947887
2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 62817737
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 86979939
methyl 4-[(2-tert-butylsulfanylacetyl)-methylamino]butanoate
CID 54943106

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate (CID 54942474) is methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate is COC(=O)CCCN(C)C(=O)CCn1cccn1.
What is the InChIKey of methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate?
The InChIKey is ULTXOKZMKFEPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14(8-3-5-12(17)18-2)11(16)6-10-15-9-4-7-13-15/h4,7,9H,3,5-6,8,10H2,1-2H3.
What are the key properties of methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate?
methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate has a molecular weight of 253.30 g/mol, XLogP of 0.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate is sourced from PubChem (CID 54942474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).