5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide

C12H13BrN4O — CID 104939258

IUPAC5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cnn(C)c2N)c1
InChIInChI=1S/C12H13BrN4O/c1-7-3-8(13)5-9(4-7)16-12(18)10-6-15-17(2)11(10)14/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyHCRWCLUFFVYZPQ-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.33
Rot. Bonds2

About 5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 104939258) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID104939258
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cnn(C)c2N)c1
InChIInChI=1S/C12H13BrN4O/c1-7-3-8(13)5-9(4-7)16-12(18)10-6-15-17(2)11(10)14/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyHCRWCLUFFVYZPQ-UHFFFAOYSA-N
XLogP2.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
CID 82547054
4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
CID 107578505
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770
5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
CID 107792556
5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107578608
N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62721395
5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330375
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide (CID 104939258) is 5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide is Cc1cc(Br)cc(NC(=O)c2cnn(C)c2N)c1.
What is the InChIKey of 5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is HCRWCLUFFVYZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-7-3-8(13)5-9(4-7)16-12(18)10-6-15-17(2)11(10)14/h3-6H,14H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 104939258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).