2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide

C13H10F5N3O — CID 19534387

IUPAC2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C13H10F5N3O/c1-5-3-19-21(4-5)6(2)13(22)20-12-10(17)8(15)7(14)9(16)11(12)18/h3-4,6H,1-2H3,(H,20,22)
InChIKeyALHBXJWVQWWXNL-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide

2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide (PubChem CID 19534387) has the molecular formula C13H10F5N3O and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
PubChem CID19534387
Molecular FormulaC13H10F5N3O
Molecular Weight319.23 g/mol
Exact Mass319.07
IUPAC Name2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C13H10F5N3O/c1-5-3-19-21(4-5)6(2)13(22)20-12-10(17)8(15)7(14)9(16)11(12)18/h3-4,6H,1-2H3,(H,20,22)
InChIKeyALHBXJWVQWWXNL-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19534423
N-(2,6-dimethylphenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534343
2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19528793
2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19402139
N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534474
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534492
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19534326
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534484
2-(4-methylpyrazol-1-yl)pentan-3-one
CID 64867990
dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate
CID 19534359
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534314
ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate
CID 7017156

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide (CID 19534387) is 2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide is Cc1cnn(C(C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The InChIKey is ALHBXJWVQWWXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5N3O/c1-5-3-19-21(4-5)6(2)13(22)20-12-10(17)8(15)7(14)9(16)11(12)18/h3-4,6H,1-2H3,(H,20,22).
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide has a molecular weight of 319.23 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide is sourced from PubChem (CID 19534387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).