4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide

C12H14BrN5O — CID 79734496

IUPAC4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2c(N)c(C)nn2C)ncc1Br
InChIInChI=1S/C12H14BrN5O/c1-6-4-9(15-5-8(6)13)16-12(19)11-10(14)7(2)17-18(11)3/h4-5H,14H2,1-3H3,(H,15,16,19)
InChIKeySFQVFNBVPCIXEF-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.03
Rot. Bonds2

About 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 79734496) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID79734496
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2c(N)c(C)nn2C)ncc1Br
InChIInChI=1S/C12H14BrN5O/c1-6-4-9(15-5-8(6)13)16-12(19)11-10(14)7(2)17-18(11)3/h4-5H,14H2,1-3H3,(H,15,16,19)
InChIKeySFQVFNBVPCIXEF-UHFFFAOYSA-N
XLogP2.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide
CID 66121641
4-amino-N-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122027
4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107618406
4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 103410503
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79048774
N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide
CID 79729400
5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 162076548
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 79734498
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide (CID 79734496) is 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1cc(NC(=O)c2c(N)c(C)nn2C)ncc1Br.
What is the InChIKey of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is SFQVFNBVPCIXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-6-4-9(15-5-8(6)13)16-12(19)11-10(14)7(2)17-18(11)3/h4-5H,14H2,1-3H3,(H,15,16,19).
What are the key properties of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 79734496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).