N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide

C16H11BrFN3O — CID 50772677

IUPACN-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H11BrFN3O/c17-12-6-7-15(14(18)8-12)20-16(22)11-9-19-21(10-11)13-4-2-1-3-5-13/h1-10H,(H,20,22)
InChIKeyKZAQPWKYNAJXKI-UHFFFAOYSA-N
MW360.19 g/mol
LogP4.03
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide

N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 50772677) has the molecular formula C16H11BrFN3O and a molecular weight of 360.19 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID50772677
Molecular FormulaC16H11BrFN3O
Molecular Weight360.19 g/mol
Exact Mass359.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H11BrFN3O/c17-12-6-7-15(14(18)8-12)20-16(22)11-9-19-21(10-11)13-4-2-1-3-5-13/h1-10H,(H,20,22)
InChIKeyKZAQPWKYNAJXKI-UHFFFAOYSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
CID 28742301
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 78803403
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide
CID 50772769
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 26246673
N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532914
N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 29258148
N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46582044
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide (CID 50772677) is N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1ccc(Br)cc1F)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is KZAQPWKYNAJXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O/c17-12-6-7-15(14(18)8-12)20-16(22)11-9-19-21(10-11)13-4-2-1-3-5-13/h1-10H,(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 360.19 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 50772677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).