4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide

C13H11BrN4O — CID 35591222

IUPAC4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)Nc2ccc(C#N)cc2)nn1C
InChIInChI=1S/C13H11BrN4O/c1-8-11(14)12(17-18(8)2)13(19)16-10-5-3-9(7-15)4-6-10/h3-6H,1-2H3,(H,16,19)
InChIKeyJALZURCTXGCHLJ-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.62
Rot. Bonds2

About 4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 35591222) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID35591222
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)Nc2ccc(C#N)cc2)nn1C
InChIInChI=1S/C13H11BrN4O/c1-8-11(14)12(17-18(8)2)13(19)16-10-5-3-9(7-15)4-6-10/h3-6H,1-2H3,(H,16,19)
InChIKeyJALZURCTXGCHLJ-UHFFFAOYSA-N
XLogP2.62
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266109
methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748376
N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832757
4-bromo-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266332
N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681138
4-bromo-N-(2-hydroxy-5-nitrophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266379
4-bromo-1,5-dimethyl-N-[1-[4-[(5-methylthiophene-2-carbonyl)amino]phenyl]ethylideneamino]pyrazole-3-carboxamide
CID 4218595
4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 39854861
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
4-bromo-1-methyl-N-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268136
N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026171
3-amino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 104740905

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide (CID 35591222) is 4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Br)c(C(=O)Nc2ccc(C#N)cc2)nn1C.
What is the InChIKey of 4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is JALZURCTXGCHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-8-11(14)12(17-18(8)2)13(19)16-10-5-3-9(7-15)4-6-10/h3-6H,1-2H3,(H,16,19).
What are the key properties of 4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 319.16 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 35591222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).