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

C12H14BrN5O — CID 104507196

IUPAC1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCc1c(N)cnc(-n2ccc(C(=O)N(C)C)n2)c1Br
InChIInChI=1S/C12H14BrN5O/c1-7-8(14)6-15-11(10(7)13)18-5-4-9(16-18)12(19)17(2)3/h4-6H,14H2,1-3H3
InChIKeyJBOGXZCIOKRPCT-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.62
Rot. Bonds2

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

1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 104507196) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID104507196
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCc1c(N)cnc(-n2ccc(C(=O)N(C)C)n2)c1Br
InChIInChI=1S/C12H14BrN5O/c1-7-8(14)6-15-11(10(7)13)18-5-4-9(16-18)12(19)17(2)3/h4-6H,14H2,1-3H3
InChIKeyJBOGXZCIOKRPCT-UHFFFAOYSA-N
XLogP1.62
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 103469399
1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 79072535
1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 65342316
1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 114870573
1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
CID 80636556
1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780746
1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 102769211
1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79727906
1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79827052
1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 65336223
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
CID 80868258
1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64782079

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide (CID 104507196) is 1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide is Cc1c(N)cnc(-n2ccc(C(=O)N(C)C)n2)c1Br.
What is the InChIKey of 1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is JBOGXZCIOKRPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-7-8(14)6-15-11(10(7)13)18-5-4-9(16-18)12(19)17(2)3/h4-6H,14H2,1-3H3.
What are the key properties of 1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 104507196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).