N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C17H13BrFN3O — CID 45030513

IUPACN-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(Br)c1
InChIInChI=1S/C17H13BrFN3O/c1-10-2-7-14(13(18)8-10)20-17(23)16-9-15(21-22-16)11-3-5-12(19)6-4-11/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyWMGLIERKAFTZPC-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.54
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 45030513) has the molecular formula C17H13BrFN3O and a molecular weight of 374.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID45030513
Molecular FormulaC17H13BrFN3O
Molecular Weight374.21 g/mol
Exact Mass373.02
IUPAC NameN-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(Br)c1
InChIInChI=1S/C17H13BrFN3O/c1-10-2-7-14(13(18)8-10)20-17(23)16-9-15(21-22-16)11-3-5-12(19)6-4-11/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyWMGLIERKAFTZPC-UHFFFAOYSA-N
XLogP4.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53014348
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207178
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 45030513) is N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WMGLIERKAFTZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O/c1-10-2-7-14(13(18)8-10)20-17(23)16-9-15(21-22-16)11-3-5-12(19)6-4-11/h2-9H,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 374.21 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).