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

C12H13BrN4O — CID 114870573

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCc1cc(-n2ccc(C(=O)N(C)C)n2)ncc1Br
InChIInChI=1S/C12H13BrN4O/c1-8-6-11(14-7-9(8)13)17-5-4-10(15-17)12(18)16(2)3/h4-7H,1-3H3
InChIKeyYHKWWVIRVIWBLK-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.04
Rot. Bonds2

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

1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 114870573) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID114870573
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCc1cc(-n2ccc(C(=O)N(C)C)n2)ncc1Br
InChIInChI=1S/C12H13BrN4O/c1-8-6-11(14-7-9(8)13)17-5-4-10(15-17)12(18)16(2)3/h4-7H,1-3H3
InChIKeyYHKWWVIRVIWBLK-UHFFFAOYSA-N
XLogP2.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide (CID 114870573) is 1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide is Cc1cc(-n2ccc(C(=O)N(C)C)n2)ncc1Br.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is YHKWWVIRVIWBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-8-6-11(14-7-9(8)13)17-5-4-10(15-17)12(18)16(2)3/h4-7H,1-3H3.
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 114870573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).