1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one

C17H10Cl2F3N3O2 — CID 163255958

IUPAC1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one
SMILESCC(=O)c1cnn(-c2ccc(-n3ccc(Cl)c(Cl)c3=O)cc2)c1C(F)(F)F
InChIInChI=1S/C17H10Cl2F3N3O2/c1-9(26)12-8-23-25(15(12)17(20,21)22)11-4-2-10(3-5-11)24-7-6-13(18)14(19)16(24)27/h2-8H,1H3
InChIKeyBIQAMNQPBYEHMD-UHFFFAOYSA-N
MW416.19 g/mol
LogP4.55
Rot. Bonds3

About 1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one

1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one (PubChem CID 163255958) has the molecular formula C17H10Cl2F3N3O2 and a molecular weight of 416.19 g/mol. Its IUPAC name is 1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one.

Molecular Properties

Compound Name1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one
PubChem CID163255958
Molecular FormulaC17H10Cl2F3N3O2
Molecular Weight416.19 g/mol
Exact Mass415.01
IUPAC Name1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one
SMILESCC(=O)c1cnn(-c2ccc(-n3ccc(Cl)c(Cl)c3=O)cc2)c1C(F)(F)F
InChIInChI=1S/C17H10Cl2F3N3O2/c1-9(26)12-8-23-25(15(12)17(20,21)22)11-4-2-10(3-5-11)24-7-6-13(18)14(19)16(24)27/h2-8H,1H3
InChIKeyBIQAMNQPBYEHMD-UHFFFAOYSA-N
XLogP4.55
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.19
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 163255904
1-[4-[4-butanoyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one
CID 163256010
ethyl 1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 163255991
1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-(2-methylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 163255931
3,4-dichloro-1-[4-[4-methylsulfonyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridin-2-one
CID 163255919
1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 163255890
1-[4-[4-butanoyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chloropyridin-2-one
CID 163255916
1-[4-[3-chloro-2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 167001828
ethyl 1-[4-(3,5-dichloro-2-oxo-1-pyridinyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 162647409
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
methyl N-[4-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]carbamate
CID 55804670
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 21105026

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one?
The IUPAC name of 1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one (CID 163255958) is 1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one.
What is the SMILES notation for 1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one?
The canonical SMILES for 1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one is CC(=O)c1cnn(-c2ccc(-n3ccc(Cl)c(Cl)c3=O)cc2)c1C(F)(F)F.
What is the InChIKey of 1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one?
The InChIKey is BIQAMNQPBYEHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3O2/c1-9(26)12-8-23-25(15(12)17(20,21)22)11-4-2-10(3-5-11)24-7-6-13(18)14(19)16(24)27/h2-8H,1H3.
What are the key properties of 1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one?
1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one has a molecular weight of 416.19 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one is sourced from PubChem (CID 163255958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).