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

C13H10F5N3O — CID 19555789

IUPAC3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCc1ccn(CCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C13H10F5N3O/c1-6-2-4-21(20-6)5-3-7(22)19-13-11(17)9(15)8(14)10(16)12(13)18/h2,4H,3,5H2,1H3,(H,19,22)
InChIKeyOQOGAAUEBDWYAS-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.92
Rot. Bonds4

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

3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide (PubChem CID 19555789) has the molecular formula C13H10F5N3O and a molecular weight of 319.23 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
PubChem CID19555789
Molecular FormulaC13H10F5N3O
Molecular Weight319.23 g/mol
Exact Mass319.07
IUPAC Name3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCc1ccn(CCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C13H10F5N3O/c1-6-2-4-21(20-6)5-3-7(22)19-13-11(17)9(15)8(14)10(16)12(13)18/h2,4H,3,5H2,1H3,(H,19,22)
InChIKeyOQOGAAUEBDWYAS-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.92
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'}

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Related Compounds

N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555733
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559526
N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339411
N-(1,5-dimethylpyrazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555805
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555724
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555850
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555892
N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 45106808
3-(3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19565795
N-cyclopentyl-3-(3-methylpyrazol-1-yl)propanamide
CID 19555712
N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555927

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide (CID 19555789) is 3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide is Cc1ccn(CCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The InChIKey is OQOGAAUEBDWYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5N3O/c1-6-2-4-21(20-6)5-3-7(22)19-13-11(17)9(15)8(14)10(16)12(13)18/h2,4H,3,5H2,1H3,(H,19,22).
What are the key properties of 3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide has a molecular weight of 319.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide is sourced from PubChem (CID 19555789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).