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

C12H7ClF5N3O — CID 19520612

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1c(Cl)cnn1CC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H7ClF5N3O/c1-4-5(13)2-19-21(4)3-6(22)20-12-10(17)8(15)7(14)9(16)11(12)18/h2H,3H2,1H3,(H,20,22)
InChIKeyANDKZQFHFXTYNH-UHFFFAOYSA-N
MW339.65 g/mol
LogP3.18
Rot. Bonds3

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

2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 19520612) has the molecular formula C12H7ClF5N3O and a molecular weight of 339.65 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID19520612
Molecular FormulaC12H7ClF5N3O
Molecular Weight339.65 g/mol
Exact Mass339.02
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1c(Cl)cnn1CC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H7ClF5N3O/c1-4-5(13)2-19-21(4)3-6(22)20-12-10(17)8(15)7(14)9(16)11(12)18/h2H,3H2,1H3,(H,20,22)
InChIKeyANDKZQFHFXTYNH-UHFFFAOYSA-N
XLogP3.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.65
LogP ≤ 53.18
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

2-(4-chloro-5-methylpyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393480
2-(4-chloro-5-methylpyrazol-1-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19520820
3-(4-chloro-5-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19553897
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19404266
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520566
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469013
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19410448
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 19520643
ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966
2-(4-chloropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19402137

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 19520612) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide is Cc1c(Cl)cnn1CC(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is ANDKZQFHFXTYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF5N3O/c1-4-5(13)2-19-21(4)3-6(22)20-12-10(17)8(15)7(14)9(16)11(12)18/h2H,3H2,1H3,(H,20,22).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 339.65 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 19520612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).