N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H9BrFN3O — CID 103754876

IUPACN-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H9BrFN3O/c1-6-8(5-14-16-6)11(17)15-10-4-7(13)2-3-9(10)12/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyCVSSETQEOAQCAB-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.87
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 103754876) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID103754876
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC NameN-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H9BrFN3O/c1-6-8(5-14-16-6)11(17)15-10-4-7(13)2-3-9(10)12/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyCVSSETQEOAQCAB-UHFFFAOYSA-N
XLogP2.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107792769
2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691255
N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103753515
5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 82766729
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103753400
N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107602580
N-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 103753405
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
N-(6-fluoro-3-pyridinyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103789931
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 103754876) is N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is CVSSETQEOAQCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-6-8(5-14-16-6)11(17)15-10-4-7(13)2-3-9(10)12/h2-5H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 298.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103754876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).