N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide

C11H7BrF3N3O — CID 3461510

IUPACN-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccnn1C(F)F
InChIInChI=1S/C11H7BrF3N3O/c12-6-1-2-8(7(13)5-6)17-10(19)9-3-4-16-18(9)11(14)15/h1-5,11H,(H,17,19)
InChIKeyMASYMGOYAFWYLZ-UHFFFAOYSA-N
MW334.10 g/mol
LogP3.43
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide

N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 3461510) has the molecular formula C11H7BrF3N3O and a molecular weight of 334.10 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID3461510
Molecular FormulaC11H7BrF3N3O
Molecular Weight334.10 g/mol
Exact Mass332.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccnn1C(F)F
InChIInChI=1S/C11H7BrF3N3O/c12-6-1-2-8(7(13)5-6)17-10(19)9-3-4-16-18(9)11(14)15/h1-5,11H,(H,17,19)
InChIKeyMASYMGOYAFWYLZ-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.10
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506728
N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506748
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19506795
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
3-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64525794
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261907
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506868
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 62151121
N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532914

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide (CID 3461510) is N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide is O=C(Nc1ccc(Br)cc1F)c1ccnn1C(F)F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is MASYMGOYAFWYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3O/c12-6-1-2-8(7(13)5-6)17-10(19)9-3-4-16-18(9)11(14)15/h1-5,11H,(H,17,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 334.10 g/mol, XLogP of 3.43, 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)-2-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 3461510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).