methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate

C14H15N3O3 — CID 110464313

IUPACmethyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C14H15N3O3/c1-17(9-13(18)20-2)14(19)11-5-3-10(4-6-11)12-7-15-16-8-12/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyXVIJVODFAISNGU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.32
Rot. Bonds4

About methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate

methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate (PubChem CID 110464313) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
PubChem CID110464313
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C14H15N3O3/c1-17(9-13(18)20-2)14(19)11-5-3-10(4-6-11)12-7-15-16-8-12/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyXVIJVODFAISNGU-UHFFFAOYSA-N
XLogP1.32
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 154868534
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
methyl 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464293
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate
CID 43409765
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110473761
methyl 6-(1H-pyrazol-4-yl)pyridine-3-carboxylate
CID 126673838
N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464260
N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 139014548
methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate
CID 43407552

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate (CID 110464313) is methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate is COC(=O)CN(C)C(=O)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate?
The InChIKey is XVIJVODFAISNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17(9-13(18)20-2)14(19)11-5-3-10(4-6-11)12-7-15-16-8-12/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate?
methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate has a molecular weight of 273.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate is sourced from PubChem (CID 110464313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).