N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide

C21H21BrClN3O — CID 56535902

IUPACN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide
SMILESCc1nn(C)c(NC(=O)CCCc2ccc(Cl)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C21H21BrClN3O/c1-14-20(16-8-10-17(22)11-9-16)21(26(2)25-14)24-19(27)5-3-4-15-6-12-18(23)13-7-15/h6-13H,3-5H2,1-2H3,(H,24,27)
InChIKeyYRJXGOGNOZUHFA-UHFFFAOYSA-N
MW446.78 g/mol
LogP5.77
Rot. Bonds6

About N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide (PubChem CID 56535902) has the molecular formula C21H21BrClN3O and a molecular weight of 446.78 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide
PubChem CID56535902
Molecular FormulaC21H21BrClN3O
Molecular Weight446.78 g/mol
Exact Mass445.06
IUPAC NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide
SMILESCc1nn(C)c(NC(=O)CCCc2ccc(Cl)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C21H21BrClN3O/c1-14-20(16-8-10-17(22)11-9-16)21(26(2)25-14)24-19(27)5-3-4-15-6-12-18(23)13-7-15/h6-13H,3-5H2,1-2H3,(H,24,27)
InChIKeyYRJXGOGNOZUHFA-UHFFFAOYSA-N
XLogP5.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.78
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide
CID 56573627
2-(4-aminophenyl)-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]acetamide;hydrochloride
CID 86813996
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56536259
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 56536068
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 56536076
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide
CID 56573561
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 56573655
4-[(1,3-dimethyl-4-phenylpyrazol-5-yl)amino]-4-oxobutanoic acid
CID 134712423
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenyl)butanamide
CID 56535885
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide
CID 134702201
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-nitrophenyl)acetamide
CID 56536137
4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide
CID 56575763

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide (CID 56535902) is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide is Cc1nn(C)c(NC(=O)CCCc2ccc(Cl)cc2)c1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide?
The InChIKey is YRJXGOGNOZUHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrClN3O/c1-14-20(16-8-10-17(22)11-9-16)21(26(2)25-14)24-19(27)5-3-4-15-6-12-18(23)13-7-15/h6-13H,3-5H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide?
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide has a molecular weight of 446.78 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide is sourced from PubChem (CID 56535902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).