N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide

C11H6Cl2F3N3O — CID 14517407

IUPACN-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1-c1c(F)c(F)c(Cl)c(F)c1Cl
InChIInChI=1S/C11H6Cl2F3N3O/c1-4(20)18-5-2-3-17-19(5)11-7(13)8(14)6(12)9(15)10(11)16/h2-3H,1H3,(H,18,20)
InChIKeyFNUZVUKIKICLLR-UHFFFAOYSA-N
MW324.09 g/mol
LogP3.55
Rot. Bonds2

About N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide

N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide (PubChem CID 14517407) has the molecular formula C11H6Cl2F3N3O and a molecular weight of 324.09 g/mol. Its IUPAC name is N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide
PubChem CID14517407
Molecular FormulaC11H6Cl2F3N3O
Molecular Weight324.09 g/mol
Exact Mass322.98
IUPAC NameN-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1-c1c(F)c(F)c(Cl)c(F)c1Cl
InChIInChI=1S/C11H6Cl2F3N3O/c1-4(20)18-5-2-3-17-19(5)11-7(13)8(14)6(12)9(15)10(11)16/h2-3H,1H3,(H,18,20)
InChIKeyFNUZVUKIKICLLR-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 53.55
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-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 10k
CID 135402919
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
CID 71993390
N-[2-(4-chlorophenyl)pyrazol-3-yl]-3-ethoxypropanamide
CID 72118219
5-Acetamido-1-(O-chlorophenyl)-pyrazole-4-carbonitrile
CID 219745
N-[4-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 13127673
N-[1-(4-chloro-2,3,5,6-tetrafluorophenyl)-4-cyanopyrazol-5-yl]acetamide
CID 13127679
N-[4-cyano-1-(2,4,6-trichloro-3,5-difluorophenyl)pyrazol-5-yl]acetamide
CID 13127681
N-[1-(4-chloro-2,3,5,6-tetrafluorophenyl)-4-cyanopyrazol-5-yl]propanamide
CID 13127692
N-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
CID 13557137
5-Chloroacetamido-1-(2,6-dichloro-4-trifluoromethyl-phenyl)-pyrazole
CID 13557146

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide (CID 14517407) is N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide is CC(=O)Nc1ccnn1-c1c(F)c(F)c(Cl)c(F)c1Cl.
What is the InChIKey of N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is FNUZVUKIKICLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3O/c1-4(20)18-5-2-3-17-19(5)11-7(13)8(14)6(12)9(15)10(11)16/h2-3H,1H3,(H,18,20).
What are the key properties of N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide?
N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 324.09 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 14517407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).