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

C13H14BrN3O — CID 82706059

IUPACN-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cnn(C)c2C)c1
InChIInChI=1S/C13H14BrN3O/c1-8-4-5-11(14)12(6-8)16-13(18)10-7-15-17(3)9(10)2/h4-7H,1-3H3,(H,16,18)
InChIKeyUKQSSKZTUCTWCH-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.05
Rot. Bonds2

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

N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 82706059) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID82706059
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cnn(C)c2C)c1
InChIInChI=1S/C13H14BrN3O/c1-8-4-5-11(14)12(6-8)16-13(18)10-7-15-17(3)9(10)2/h4-7H,1-3H3,(H,16,18)
InChIKeyUKQSSKZTUCTWCH-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 82757494
5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 82766729
N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 102674177
4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62721395
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782
N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 172631678
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide
CID 106685098

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 82706059) is N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1ccc(Br)c(NC(=O)c2cnn(C)c2C)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is UKQSSKZTUCTWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-4-5-11(14)12(6-8)16-13(18)10-7-15-17(3)9(10)2/h4-7H,1-3H3,(H,16,18).
What are the key properties of N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 82706059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).