N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide

C13H14BrN3O — CID 106509676

IUPACN-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(C)n2)cc(C)c1Br
InChIInChI=1S/C13H14BrN3O/c1-8-6-10(7-9(2)12(8)14)15-13(18)11-4-5-17(3)16-11/h4-7H,1-3H3,(H,15,18)
InChIKeyCXPVHTGNKVXVBN-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.05
Rot. Bonds2

About N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide

N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 106509676) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID106509676
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(C)n2)cc(C)c1Br
InChIInChI=1S/C13H14BrN3O/c1-8-6-10(7-9(2)12(8)14)15-13(18)11-4-5-17(3)16-11/h4-7H,1-3H3,(H,15,18)
InChIKeyCXPVHTGNKVXVBN-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-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695
N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634
N-[4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19264401
N-(4-bromo-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 102674262
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide
CID 19475191
N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19511434
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide
CID 103121264
N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide
CID 103116113
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481136
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide (CID 106509676) is N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide is Cc1cc(NC(=O)c2ccn(C)n2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is CXPVHTGNKVXVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-6-10(7-9(2)12(8)14)15-13(18)11-4-5-17(3)16-11/h4-7H,1-3H3,(H,15,18).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-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-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 106509676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).