2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide

C17H15BrN6O — CID 19535569

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
SMILESCc1c(Br)cnn1C(C)C(=O)Nc1c(C#N)cnn1-c1ccccc1
InChIInChI=1S/C17H15BrN6O/c1-11-15(18)10-21-23(11)12(2)17(25)22-16-13(8-19)9-20-24(16)14-6-4-3-5-7-14/h3-7,9-10,12H,1-2H3,(H,22,25)
InChIKeyGFVXVINQDKGINY-UHFFFAOYSA-N
MW399.25 g/mol
LogP3.21
Rot. Bonds4

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide (PubChem CID 19535569) has the molecular formula C17H15BrN6O and a molecular weight of 399.25 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
PubChem CID19535569
Molecular FormulaC17H15BrN6O
Molecular Weight399.25 g/mol
Exact Mass398.05
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
SMILESCc1c(Br)cnn1C(C)C(=O)Nc1c(C#N)cnn1-c1ccccc1
InChIInChI=1S/C17H15BrN6O/c1-11-15(18)10-21-23(11)12(2)17(25)22-16-13(8-19)9-20-24(16)14-6-4-3-5-7-14/h3-7,9-10,12H,1-2H3,(H,22,25)
InChIKeyGFVXVINQDKGINY-UHFFFAOYSA-N
XLogP3.21
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide (CID 19535569) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide is Cc1c(Br)cnn1C(C)C(=O)Nc1c(C#N)cnn1-c1ccccc1.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide?
The InChIKey is GFVXVINQDKGINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN6O/c1-11-15(18)10-21-23(11)12(2)17(25)22-16-13(8-19)9-20-24(16)14-6-4-3-5-7-14/h3-7,9-10,12H,1-2H3,(H,22,25).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide has a molecular weight of 399.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide is sourced from PubChem (CID 19535569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).