N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide

C11H6Br2F2N4O3 — CID 19506748

IUPACN-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1c(Br)cc([N+](=O)[O-])cc1Br)c1ccnn1C(F)F
InChIInChI=1S/C11H6Br2F2N4O3/c12-6-3-5(19(21)22)4-7(13)9(6)17-10(20)8-1-2-16-18(8)11(14)15/h1-4,11H,(H,17,20)
InChIKeyHWWDYMVNXXOKDJ-UHFFFAOYSA-N
MW440.00 g/mol
LogP3.96
Rot. Bonds4

About N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide

N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 19506748) has the molecular formula C11H6Br2F2N4O3 and a molecular weight of 440.00 g/mol. Its IUPAC name is N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID19506748
Molecular FormulaC11H6Br2F2N4O3
Molecular Weight440.00 g/mol
Exact Mass437.88
IUPAC NameN-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1c(Br)cc([N+](=O)[O-])cc1Br)c1ccnn1C(F)F
InChIInChI=1S/C11H6Br2F2N4O3/c12-6-3-5(19(21)22)4-7(13)9(6)17-10(20)8-1-2-16-18(8)11(14)15/h1-4,11H,(H,17,20)
InChIKeyHWWDYMVNXXOKDJ-UHFFFAOYSA-N
XLogP3.96
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.00
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 19475556
2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 17023033
2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19506795
2-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)pyrazole-3-carboxamide
CID 19507024
N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 3461510
N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515910
4-chloro-N-(2,6-dibromo-4-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476887
N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526405
2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide
CID 19524825
4-bromo-N-(2,6-dibromo-4-nitrophenyl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135829909
N-(2,6-dibromo-4-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440379
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506868

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide (CID 19506748) is N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide is O=C(Nc1c(Br)cc([N+](=O)[O-])cc1Br)c1ccnn1C(F)F.
What is the InChIKey of N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is HWWDYMVNXXOKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2F2N4O3/c12-6-3-5(19(21)22)4-7(13)9(6)17-10(20)8-1-2-16-18(8)11(14)15/h1-4,11H,(H,17,20).
What are the key properties of N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 440.00 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19506748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).