N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C16H11BrFN3O — CID 45030503

IUPACN-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H11BrFN3O/c17-11-3-7-13(8-4-11)19-16(22)15-9-14(20-21-15)10-1-5-12(18)6-2-10/h1-9H,(H,19,22)(H,20,21)
InChIKeyWHALKBIQODMSOL-UHFFFAOYSA-N
MW360.19 g/mol
LogP4.23
Rot. Bonds3

About N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 45030503) has the molecular formula C16H11BrFN3O and a molecular weight of 360.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID45030503
Molecular FormulaC16H11BrFN3O
Molecular Weight360.19 g/mol
Exact Mass359.01
IUPAC NameN-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H11BrFN3O/c17-11-3-7-13(8-4-11)19-16(22)15-9-14(20-21-15)10-1-5-12(18)6-2-10/h1-9H,(H,19,22)(H,20,21)
InChIKeyWHALKBIQODMSOL-UHFFFAOYSA-N
XLogP4.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030449
3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 45030519
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
3-(4-bromophenyl)-N-(2,5-dihydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 177374451
3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 46554089
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030513
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 45030503) is N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WHALKBIQODMSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O/c17-11-3-7-13(8-4-11)19-16(22)15-9-14(20-21-15)10-1-5-12(18)6-2-10/h1-9H,(H,19,22)(H,20,21).
What are the key properties of N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 360.19 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).