ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate

C17H15N3O3S — CID 741701

IUPACethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccs1
InChIInChI=1S/C17H15N3O3S/c1-2-23-17(22)13-11-18-20(12-7-4-3-5-8-12)15(13)19-16(21)14-9-6-10-24-14/h3-11H,2H2,1H3,(H,19,21)
InChIKeyYOGCILFZGPSEHH-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.36
Rot. Bonds5

About ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate

ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate (PubChem CID 741701) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate
PubChem CID741701
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Nameethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccs1
InChIInChI=1S/C17H15N3O3S/c1-2-23-17(22)13-11-18-20(12-7-4-3-5-8-12)15(13)19-16(21)14-9-6-10-24-14/h3-11H,2H2,1H3,(H,19,21)
InChIKeyYOGCILFZGPSEHH-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate (CID 741701) is ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccs1.
What is the InChIKey of ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate?
The InChIKey is YOGCILFZGPSEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-2-23-17(22)13-11-18-20(12-7-4-3-5-8-12)15(13)19-16(21)14-9-6-10-24-14/h3-11H,2H2,1H3,(H,19,21).
What are the key properties of ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate?
ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate is sourced from PubChem (CID 741701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).