N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide

C10H7BrFN3O — CID 43532914

IUPACN-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cn[nH]c1
InChIInChI=1S/C10H7BrFN3O/c11-7-1-2-9(8(12)3-7)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyBYMNTUXROVJWJS-UHFFFAOYSA-N
MW284.09 g/mol
LogP2.56
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide

N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43532914) has the molecular formula C10H7BrFN3O and a molecular weight of 284.09 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID43532914
Molecular FormulaC10H7BrFN3O
Molecular Weight284.09 g/mol
Exact Mass282.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cn[nH]c1
InChIInChI=1S/C10H7BrFN3O/c11-7-1-2-9(8(12)3-7)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyBYMNTUXROVJWJS-UHFFFAOYSA-N
XLogP2.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19511226
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
N-(4-bromo-2-fluorophenyl)-1H-indazole-6-carboxamide
CID 60716242
N-(5-bromo-2-carbamothioylphenyl)-1H-pyrazole-4-carboxamide
CID 107798815
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 62151121
N-(4-bromo-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
CID 134017875
N-(4-bromo-2-fluorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642173
N-(2-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532862
4,5-difluoro-2-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 55129854
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-(4-bromo-2-fluorophenyl)-3,5-dinitrobenzamide
CID 4159361
N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997721

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 43532914) is N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(Br)cc1F)c1cn[nH]c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BYMNTUXROVJWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3O/c11-7-1-2-9(8(12)3-7)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 284.09 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43532914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).