N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C21H16N4O2S — CID 2336068

IUPACN-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C21H16N4O2S/c22-20(26)14-8-10-15(11-9-14)23-21(27)17-13-25(16-5-2-1-3-6-16)24-19(17)18-7-4-12-28-18/h1-13H,(H2,22,26)(H,23,27)
InChIKeyJHZOEAMDVAOQOJ-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.95
Rot. Bonds5

About N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2336068) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2336068
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC NameN-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C21H16N4O2S/c22-20(26)14-8-10-15(11-9-14)23-21(27)17-13-25(16-5-2-1-3-6-16)24-19(17)18-7-4-12-28-18/h1-13H,(H2,22,26)(H,23,27)
InChIKeyJHZOEAMDVAOQOJ-UHFFFAOYSA-N
XLogP3.95
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2336068) is N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is NC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is JHZOEAMDVAOQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c22-20(26)14-8-10-15(11-9-14)23-21(27)17-13-25(16-5-2-1-3-6-16)24-19(17)18-7-4-12-28-18/h1-13H,(H2,22,26)(H,23,27).
What are the key properties of N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2336068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).