N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C14H16BrN3O — CID 28742902

IUPACN-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(C)c2C)c(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-8-5-6-12(11(15)7-8)16-14(19)13-9(2)17-18(4)10(13)3/h5-7H,1-4H3,(H,16,19)
InChIKeyIBDRLGLEQFEABE-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.36
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 28742902) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID28742902
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(C)c2C)c(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-8-5-6-12(11(15)7-8)16-14(19)13-9(2)17-18(4)10(13)3/h5-7H,1-4H3,(H,16,19)
InChIKeyIBDRLGLEQFEABE-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103753650
N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106834916
N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104757095
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
5-chloro-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28548365
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
N-[2-(bromomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 113274430
4-methyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28742531
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 55473570

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 28742902) is N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)nn(C)c2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is IBDRLGLEQFEABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-8-5-6-12(11(15)7-8)16-14(19)13-9(2)17-18(4)10(13)3/h5-7H,1-4H3,(H,16,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 28742902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).