methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate

C14H15N3O3 — CID 43409768

IUPACmethyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-17(9-12(18)20-2)14(19)11-8-15-16-13(11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyOCRAUECSSQAWKG-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.32
Rot. Bonds4

About methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate

methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate (PubChem CID 43409768) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate
PubChem CID43409768
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-17(9-12(18)20-2)14(19)11-8-15-16-13(11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyOCRAUECSSQAWKG-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-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 162658317
Methyl 2-[[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carbonyl]amino]acetate
CID 4879113
N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 39977902
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 45864181
5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 70708292
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918276
5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide
CID 110272265
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 166206959
N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 171540405
N-[(1S)-3-amino-1-(4-methylphenyl)-3-oxopropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 172439981
N-[(1S)-3-(methylamino)-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 172440828
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 172447480

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate (CID 43409768) is methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate?
The InChIKey is OCRAUECSSQAWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17(9-12(18)20-2)14(19)11-8-15-16-13(11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate?
methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)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-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 43409768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).