N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide

C12H12BrN3O — CID 1225284

IUPACN-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Br)cc2)cnn1C
InChIInChI=1S/C12H12BrN3O/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,15,17)
InChIKeyIHYXFEQUMJLZCS-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.74
Rot. Bonds2

About N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 1225284) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID1225284
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Br)cc2)cnn1C
InChIInChI=1S/C12H12BrN3O/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,15,17)
InChIKeyIHYXFEQUMJLZCS-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 1225284) is N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Br)cc2)cnn1C.
What is the InChIKey of N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is IHYXFEQUMJLZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,15,17).
What are the key properties of N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 1225284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).