N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C18H16BrN3O — CID 4862154

IUPACN-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C18H16BrN3O/c1-12-11-13(2)22(21-12)17-9-3-14(4-10-17)18(23)20-16-7-5-15(19)6-8-16/h3-11H,1-2H3,(H,20,23)
InChIKeyGXXJTRHDHRHMEI-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.50
Rot. Bonds3

About N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 4862154) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID4862154
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC NameN-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C18H16BrN3O/c1-12-11-13(2)22(21-12)17-9-3-14(4-10-17)18(23)20-16-7-5-15(19)6-8-16/h3-11H,1-2H3,(H,20,23)
InChIKeyGXXJTRHDHRHMEI-UHFFFAOYSA-N
XLogP4.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300583
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide
CID 16648820
4-(3,5-dimethylpyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55664687
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 39734609
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 4862154) is N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is GXXJTRHDHRHMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-12-11-13(2)22(21-12)17-9-3-14(4-10-17)18(23)20-16-7-5-15(19)6-8-16/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 370.25 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 4862154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).