5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide

C23H16BrFN4O2 — CID 1336724

IUPAC5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C23H16BrFN4O2/c24-16-8-6-15(7-9-16)22(30)28-21-20(14-26-29(21)19-4-2-1-3-5-19)23(31)27-18-12-10-17(25)11-13-18/h1-14H,(H,27,31)(H,28,30)
InChIKeyFUNJCFNYRMOPSM-UHFFFAOYSA-N
MW479.31 g/mol
LogP5.28
Rot. Bonds5

About 5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide

5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1336724) has the molecular formula C23H16BrFN4O2 and a molecular weight of 479.31 g/mol. Its IUPAC name is 5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1336724
Molecular FormulaC23H16BrFN4O2
Molecular Weight479.31 g/mol
Exact Mass478.04
IUPAC Name5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C23H16BrFN4O2/c24-16-8-6-15(7-9-16)22(30)28-21-20(14-26-29(21)19-4-2-1-3-5-19)23(31)27-18-12-10-17(25)11-13-18/h1-14H,(H,27,31)(H,28,30)
InChIKeyFUNJCFNYRMOPSM-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

SR-318
CID 139030333
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CID 135410433
N-(4-cyano-1-phenylpyrazol-5-yl)(2-fluorophenyl)carboxamide
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5-amino-1-(2-fluorophenyl)-N-(2-methyl-5-(1-methyl-1H-pyrazol-5-ylcarbamoyl)phenyl)-1H-pyrazole-4-carboxamide
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CID 52948677
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
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(2-fluorophenyl)-N-[1-phenyl-4-(piperidylcarbonyl)pyrazol-5-yl]carboxamide
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2-bromo-N-(1-phenylpyrazol-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide (CID 1336724) is 5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is FUNJCFNYRMOPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrFN4O2/c24-16-8-6-15(7-9-16)22(30)28-21-20(14-26-29(21)19-4-2-1-3-5-19)23(31)27-18-12-10-17(25)11-13-18/h1-14H,(H,27,31)(H,28,30).
What are the key properties of 5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-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 5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1336724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).