methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate

C11H17N3O3 — CID 79003930

IUPACmethyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)Cc1ccn[nH]1
InChIInChI=1S/C11H17N3O3/c1-14(7-3-4-11(16)17-2)10(15)8-9-5-6-12-13-9/h5-6H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyRZKDYOMMBXZCQX-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.36
Rot. Bonds6

About methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate

methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate (PubChem CID 79003930) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
PubChem CID79003930
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)Cc1ccn[nH]1
InChIInChI=1S/C11H17N3O3/c1-14(7-3-4-11(16)17-2)10(15)8-9-5-6-12-13-9/h5-6H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyRZKDYOMMBXZCQX-UHFFFAOYSA-N
XLogP0.36
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1H-pyrazol-5-yl)acetate
CID 50989154
N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide
CID 75427165
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
CID 55005922
methyl 4-[methyl-[2-(2-methylphenyl)acetyl]amino]butanoate
CID 54943470
methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate
CID 39491135
methyl 4-[methyl-[2-(2-nitrophenyl)acetyl]amino]butanoate
CID 60714518
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473
3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid
CID 79139899
methyl 4-[3-ethoxypropanoyl(methyl)amino]butanoate
CID 55210221
methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
CID 60714452
methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate
CID 60947887
methyl 4-[(3-chloropyridine-4-carbonyl)-methylamino]butanoate
CID 66484508

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate?
The IUPAC name of methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate (CID 79003930) is methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate?
The canonical SMILES for methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate is COC(=O)CCCN(C)C(=O)Cc1ccn[nH]1.
What is the InChIKey of methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate?
The InChIKey is RZKDYOMMBXZCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14(7-3-4-11(16)17-2)10(15)8-9-5-6-12-13-9/h5-6H,3-4,7-8H2,1-2H3,(H,12,13).
What are the key properties of methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate?
methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate has a molecular weight of 239.27 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate is sourced from PubChem (CID 79003930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).