methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate

C17H15N3O3S — CID 976813

IUPACmethyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H15N3O3S/c1-23-15(21)10-18-17(22)13-11-20(12-6-3-2-4-7-12)19-16(13)14-8-5-9-24-14/h2-9,11H,10H2,1H3,(H,18,22)
InChIKeyULFOGHHCJOEDMS-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.50
Rot. Bonds5

About methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate

methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate (PubChem CID 976813) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate
PubChem CID976813
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Namemethyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H15N3O3S/c1-23-15(21)10-18-17(22)13-11-20(12-6-3-2-4-7-12)19-16(13)14-8-5-9-24-14/h2-9,11H,10H2,1H3,(H,18,22)
InChIKeyULFOGHHCJOEDMS-UHFFFAOYSA-N
XLogP2.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate (CID 976813) is methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is ULFOGHHCJOEDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-15(21)10-18-17(22)13-11-20(12-6-3-2-4-7-12)19-16(13)14-8-5-9-24-14/h2-9,11H,10H2,1H3,(H,18,22).
What are the key properties of methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate?
methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 341.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 976813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).