N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide

C21H16N4O2S — CID 1284317

IUPACN,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C21H16N4O2S/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18/h1-14H,(H,23,26)(H,24,27)
InChIKeyHFRUBKPUNAWTSY-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.44
Rot. Bonds5

About N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide

N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide (PubChem CID 1284317) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
PubChem CID1284317
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC NameN,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C21H16N4O2S/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18/h1-14H,(H,23,26)(H,24,27)
InChIKeyHFRUBKPUNAWTSY-UHFFFAOYSA-N
XLogP4.44
TPSA76.02 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 ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The IUPAC name of N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide (CID 1284317) is N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide.
What is the SMILES notation for N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The canonical SMILES for N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide is O=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1cccs1.
What is the InChIKey of N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The InChIKey is HFRUBKPUNAWTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18/h1-14H,(H,23,26)(H,24,27).
What are the key properties of N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 1284317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).