3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide

C12H13BrN4O — CID 64523433

IUPAC3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H13BrN4O/c1-6-3-8(13)4-7(2)11(6)15-12(18)9-5-10(14)17-16-9/h3-5H,1-2H3,(H,15,18)(H3,14,16,17)
InChIKeyOQMLLCJXUUMXDD-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.62
Rot. Bonds2

About 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide

3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 64523433) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID64523433
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H13BrN4O/c1-6-3-8(13)4-7(2)11(6)15-12(18)9-5-10(14)17-16-9/h3-5H,1-2H3,(H,15,18)(H3,14,16,17)
InChIKeyOQMLLCJXUUMXDD-UHFFFAOYSA-N
XLogP2.62
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64525402
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 64524039
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
3-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64525794
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64524009
2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 55116293
N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide
CID 167908208
3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64525453
3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64524613
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
3-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64525652

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide (CID 64523433) is 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OQMLLCJXUUMXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-6-3-8(13)4-7(2)11(6)15-12(18)9-5-10(14)17-16-9/h3-5H,1-2H3,(H,15,18)(H3,14,16,17).
What are the key properties of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).