N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

C23H16BrFN4O2 — CID 1067674

IUPACN-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C23H16BrFN4O2/c24-15-10-12-16(13-11-15)27-23(31)19-14-26-29(17-6-2-1-3-7-17)21(19)28-22(30)18-8-4-5-9-20(18)25/h1-14H,(H,27,31)(H,28,30)
InChIKeyUDGSHJRGDWFLJE-UHFFFAOYSA-N
MW479.31 g/mol
LogP5.28
Rot. Bonds5

About N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 1067674) has the molecular formula C23H16BrFN4O2 and a molecular weight of 479.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
PubChem CID1067674
Molecular FormulaC23H16BrFN4O2
Molecular Weight479.31 g/mol
Exact Mass478.04
IUPAC NameN-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C23H16BrFN4O2/c24-15-10-12-16(13-11-15)27-23(31)19-14-26-29(17-6-2-1-3-7-17)21(19)28-22(30)18-8-4-5-9-20(18)25/h1-14H,(H,27,31)(H,28,30)
InChIKeyUDGSHJRGDWFLJE-UHFFFAOYSA-N
XLogP5.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.31
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712
N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 5184412
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide
CID 24828386
N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride
CID 146120934
5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109213
5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2898102
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 73254444

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (CID 1067674) is N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is O=C(Nc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccc1)c1ccccc1F.
What is the InChIKey of N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is UDGSHJRGDWFLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrFN4O2/c24-15-10-12-16(13-11-15)27-23(31)19-14-26-29(17-6-2-1-3-7-17)21(19)28-22(30)18-8-4-5-9-20(18)25/h1-14H,(H,27,31)(H,28,30).
What are the key properties of N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 479.31 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1067674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).