4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide

C11H11BrN4O — CID 19480353

IUPAC4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccncc2)c1Br
InChIInChI=1S/C11H11BrN4O/c1-7-9(12)10(16(2)15-7)11(17)14-8-3-5-13-6-4-8/h3-6H,1-2H3,(H,13,14,17)
InChIKeyOYLKKSWWOMCKBD-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.14
Rot. Bonds2

About 4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide

4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide (PubChem CID 19480353) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide
PubChem CID19480353
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccncc2)c1Br
InChIInChI=1S/C11H11BrN4O/c1-7-9(12)10(16(2)15-7)11(17)14-8-3-5-13-6-4-8/h3-6H,1-2H3,(H,13,14,17)
InChIKeyOYLKKSWWOMCKBD-UHFFFAOYSA-N
XLogP2.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480929
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 998824
4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480388
4-bromo-1,3-dimethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 19480342
4-bromo-1,3-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-5-carboxamide
CID 6873360
4-bromo-1,3-dimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-5-carboxamide
CID 19480410
4-bromo-N-(2-hydroxy-4-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480601
N-[3-[(5-bromo-1,3-dimethylpyrazole-4-carbonyl)amino]phenyl]pyridine-4-carboxamide
CID 100743130
4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107618406
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
ethyl 4-[[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]carbamothioylamino]benzoate
CID 1295836
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480548

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide (CID 19480353) is 4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2ccncc2)c1Br.
What is the InChIKey of 4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
The InChIKey is OYLKKSWWOMCKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-7-9(12)10(16(2)15-7)11(17)14-8-3-5-13-6-4-8/h3-6H,1-2H3,(H,13,14,17).
What are the key properties of 4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 19480353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).