N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide

C21H15BrN4O2S — CID 1067721

IUPACN-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C21H15BrN4O2S/c22-14-8-10-15(11-9-14)24-20(27)17-13-23-26(16-5-2-1-3-6-16)19(17)25-21(28)18-7-4-12-29-18/h1-13H,(H,24,27)(H,25,28)
InChIKeyNNYMOWHMWCBGPX-UHFFFAOYSA-N
MW467.35 g/mol
LogP5.20
Rot. Bonds5

About N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide

N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide (PubChem CID 1067721) has the molecular formula C21H15BrN4O2S and a molecular weight of 467.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
PubChem CID1067721
Molecular FormulaC21H15BrN4O2S
Molecular Weight467.35 g/mol
Exact Mass466.01
IUPAC NameN-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C21H15BrN4O2S/c22-14-8-10-15(11-9-14)24-20(27)17-13-23-26(16-5-2-1-3-6-16)19(17)25-21(28)18-7-4-12-29-18/h1-13H,(H,24,27)(H,25,28)
InChIKeyNNYMOWHMWCBGPX-UHFFFAOYSA-N
XLogP5.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.35
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide (CID 1067721) is N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide is O=C(Nc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccc1)c1cccs1.
What is the InChIKey of N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The InChIKey is NNYMOWHMWCBGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN4O2S/c22-14-8-10-15(11-9-14)24-20(27)17-13-23-26(16-5-2-1-3-6-16)19(17)25-21(28)18-7-4-12-29-18/h1-13H,(H,24,27)(H,25,28).
What are the key properties of N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide has a molecular weight of 467.35 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 1067721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).