3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide

C17H9BrCl2F2N4O2 — CID 16655010

IUPAC3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Br)nn1-c1ccc(F)cc1F
InChIInChI=1S/C17H9BrCl2F2N4O2/c18-14-6-13(26(25-14)12-2-1-8(21)5-11(12)22)17(28)24-15-9(16(23)27)3-7(19)4-10(15)20/h1-6H,(H2,23,27)(H,24,28)
InChIKeyVUVSYDKRFOUZQZ-UHFFFAOYSA-N
MW490.09 g/mol
LogP4.57
Rot. Bonds4

About 3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide

3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide (PubChem CID 16655010) has the molecular formula C17H9BrCl2F2N4O2 and a molecular weight of 490.09 g/mol. Its IUPAC name is 3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide
PubChem CID16655010
Molecular FormulaC17H9BrCl2F2N4O2
Molecular Weight490.09 g/mol
Exact Mass487.93
IUPAC Name3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Br)nn1-c1ccc(F)cc1F
InChIInChI=1S/C17H9BrCl2F2N4O2/c18-14-6-13(26(25-14)12-2-1-8(21)5-11(12)22)17(28)24-15-9(16(23)27)3-7(19)4-10(15)20/h1-6H,(H2,23,27)(H,24,28)
InChIKeyVUVSYDKRFOUZQZ-UHFFFAOYSA-N
XLogP4.57
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.09
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide (CID 16655010) is 3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide is NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Br)nn1-c1ccc(F)cc1F.
What is the InChIKey of 3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide?
The InChIKey is VUVSYDKRFOUZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrCl2F2N4O2/c18-14-6-13(26(25-14)12-2-1-8(21)5-11(12)22)17(28)24-15-9(16(23)27)3-7(19)4-10(15)20/h1-6H,(H2,23,27)(H,24,28).
What are the key properties of 3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide?
3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide has a molecular weight of 490.09 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 16655010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).