methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate

C13H13N3O3 — CID 38021237

IUPACmethyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C13H13N3O3/c1-19-12(17)9-14-13(18)11-7-8-16(15-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,18)
InChIKeyVIFRKXVKJZDFFF-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.78
Rot. Bonds4

About methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate

methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate (PubChem CID 38021237) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
PubChem CID38021237
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Namemethyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C13H13N3O3/c1-19-12(17)9-14-13(18)11-7-8-16(15-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,18)
InChIKeyVIFRKXVKJZDFFF-UHFFFAOYSA-N
XLogP0.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide
CID 82723479
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 60520905
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 119525053
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
CID 39943724
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 80712093
4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid
CID 120702722

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate (CID 38021237) is methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate?
The InChIKey is VIFRKXVKJZDFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-12(17)9-14-13(18)11-7-8-16(15-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,18).
What are the key properties of methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate?
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate has a molecular weight of 259.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 38021237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).