4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide

C13H14Br2N4O2 — CID 103410503

IUPAC4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(N)c(C)nn2C)c(Br)cc1Br
InChIInChI=1S/C13H14Br2N4O2/c1-6-11(16)12(19(2)18-6)13(20)17-9-5-10(21-3)8(15)4-7(9)14/h4-5H,16H2,1-3H3,(H,17,20)
InChIKeyNTQCKUZCDWDYNE-UHFFFAOYSA-N
MW418.09 g/mol
LogP3.10
Rot. Bonds3

About 4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 103410503) has the molecular formula C13H14Br2N4O2 and a molecular weight of 418.09 g/mol. Its IUPAC name is 4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID103410503
Molecular FormulaC13H14Br2N4O2
Molecular Weight418.09 g/mol
Exact Mass415.95
IUPAC Name4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(N)c(C)nn2C)c(Br)cc1Br
InChIInChI=1S/C13H14Br2N4O2/c1-6-11(16)12(19(2)18-6)13(20)17-9-5-10(21-3)8(15)4-7(9)14/h4-5H,16H2,1-3H3,(H,17,20)
InChIKeyNTQCKUZCDWDYNE-UHFFFAOYSA-N
XLogP3.10
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.09
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121054
4-amino-N-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122027
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107620701
2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
CID 103410429
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79734496
4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107618406
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 103410503) is 4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide is COc1cc(NC(=O)c2c(N)c(C)nn2C)c(Br)cc1Br.
What is the InChIKey of 4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is NTQCKUZCDWDYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N4O2/c1-6-11(16)12(19(2)18-6)13(20)17-9-5-10(21-3)8(15)4-7(9)14/h4-5H,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 418.09 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 103410503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).