N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide

C14H14BrClFN3O — CID 19537804

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc(Br)cc2F)c(C)c1Cl
InChIInChI=1S/C14H14BrClFN3O/c1-7-13(16)8(2)20(19-7)9(3)14(21)18-12-5-4-10(15)6-11(12)17/h4-6,9H,1-3H3,(H,18,21)
InChIKeyJJOGVNTUUCYWOH-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.25
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide

N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 19537804) has the molecular formula C14H14BrClFN3O and a molecular weight of 374.64 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID19537804
Molecular FormulaC14H14BrClFN3O
Molecular Weight374.64 g/mol
Exact Mass373.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc(Br)cc2F)c(C)c1Cl
InChIInChI=1S/C14H14BrClFN3O/c1-7-13(16)8(2)20(19-7)9(3)14(21)18-12-5-4-10(15)6-11(12)17/h4-6,9H,1-3H3,(H,18,21)
InChIKeyJJOGVNTUUCYWOH-UHFFFAOYSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539341
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19537773
N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539034
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100920
3-(4-bromo-2-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897183
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444011
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19537805
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
4-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 55682508
N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19523312

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide (CID 19537804) is N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide is Cc1nn(C(C)C(=O)Nc2ccc(Br)cc2F)c(C)c1Cl.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is JJOGVNTUUCYWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFN3O/c1-7-13(16)8(2)20(19-7)9(3)14(21)18-12-5-4-10(15)6-11(12)17/h4-6,9H,1-3H3,(H,18,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 374.64 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19537804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).