N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide

C21H22BrN3O — CID 56573627

IUPACN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)c1
InChIInChI=1S/C21H22BrN3O/c1-14-5-4-6-16(13-14)7-12-19(26)23-21-20(15(2)24-25(21)3)17-8-10-18(22)11-9-17/h4-6,8-11,13H,7,12H2,1-3H3,(H,23,26)
InChIKeyZIHGWUGIFSCHHM-UHFFFAOYSA-N
MW412.33 g/mol
LogP5.04
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide (PubChem CID 56573627) has the molecular formula C21H22BrN3O and a molecular weight of 412.33 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide
PubChem CID56573627
Molecular FormulaC21H22BrN3O
Molecular Weight412.33 g/mol
Exact Mass411.09
IUPAC NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)c1
InChIInChI=1S/C21H22BrN3O/c1-14-5-4-6-16(13-14)7-12-19(26)23-21-20(15(2)24-25(21)3)17-8-10-18(22)11-9-17/h4-6,8-11,13H,7,12H2,1-3H3,(H,23,26)
InChIKeyZIHGWUGIFSCHHM-UHFFFAOYSA-N
XLogP5.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.33
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide
CID 56535902
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 56536076
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]-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]-2-(4-ethylphenoxy)acetamide
CID 56536068
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-nitrophenyl)acetamide
CID 56536137
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide
CID 56536302
4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide
CID 56575763
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 60700309
N-benzyl-N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]pentanediamide
CID 3682138

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide (CID 56573627) is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)c1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide?
The InChIKey is ZIHGWUGIFSCHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O/c1-14-5-4-6-16(13-14)7-12-19(26)23-21-20(15(2)24-25(21)3)17-8-10-18(22)11-9-17/h4-6,8-11,13H,7,12H2,1-3H3,(H,23,26).
What are the key properties of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide?
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide has a molecular weight of 412.33 g/mol, XLogP of 5.04, 5 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]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 56573627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).