N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

C18H15BrFN3O2 — CID 59383942

IUPACN-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Br)c(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H15BrFN3O2/c1-11-16(17(24)21-12-8-9-14(19)15(20)10-12)18(25)23(22(11)2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,24)
InChIKeyCZQBYPJXMCYYAG-UHFFFAOYSA-N
MW404.24 g/mol
LogP3.64
Rot. Bonds3

About N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 59383942) has the molecular formula C18H15BrFN3O2 and a molecular weight of 404.24 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID59383942
Molecular FormulaC18H15BrFN3O2
Molecular Weight404.24 g/mol
Exact Mass403.03
IUPAC NameN-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Br)c(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H15BrFN3O2/c1-11-16(17(24)21-12-8-9-14(19)15(20)10-12)18(25)23(22(11)2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,24)
InChIKeyCZQBYPJXMCYYAG-UHFFFAOYSA-N
XLogP3.64
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-bromo-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 70681644
N-(2-chloro-5-fluoro-4-hydroxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90033637
N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 24999273
N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 66803643
N-[4-[[3-chloro-2-(diacetylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90032668
N-[3-fluoro-4-(6H-thieno[3,2-b]azepin-8-yloxy)phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 163622808
N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 91309474
1-(3,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
CID 23912233
1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 46194994
N-[3-fluoro-4-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 164622414
3-[7-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid
CID 20616349
1,5-dimethyl-2-phenyl-4-(2,2,2-trifluoroacetyl)pyrazol-3-one
CID 174506740

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 59383942) is N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Br)c(F)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is CZQBYPJXMCYYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O2/c1-11-16(17(24)21-12-8-9-14(19)15(20)10-12)18(25)23(22(11)2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 404.24 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 59383942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).