1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H11Cl2F3N4O2 — CID 163255904

IUPAC1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)c(Cl)c3=O)cc2)c1C(F)(F)F
InChIInChI=1S/C17H11Cl2F3N4O2/c1-23-15(27)11-8-24-26(14(11)17(20,21)22)10-4-2-9(3-5-10)25-7-6-12(18)13(19)16(25)28/h2-8H,1H3,(H,23,27)
InChIKeyCNDCNPOOASXVIT-UHFFFAOYSA-N
MW431.20 g/mol
LogP3.71
Rot. Bonds3

About 1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 163255904) has the molecular formula C17H11Cl2F3N4O2 and a molecular weight of 431.20 g/mol. Its IUPAC name is 1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID163255904
Molecular FormulaC17H11Cl2F3N4O2
Molecular Weight431.20 g/mol
Exact Mass430.02
IUPAC Name1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)c(Cl)c3=O)cc2)c1C(F)(F)F
InChIInChI=1S/C17H11Cl2F3N4O2/c1-23-15(27)11-8-24-26(14(11)17(20,21)22)10-4-2-9(3-5-10)25-7-6-12(18)13(19)16(25)28/h2-8H,1H3,(H,23,27)
InChIKeyCNDCNPOOASXVIT-UHFFFAOYSA-N
XLogP3.71
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.20
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4-dichloropyridin-2-one
CID 163255958
1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-(2-methylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 163255931
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
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
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(4-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91039946
1-(4-chlorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46475869
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 163255904) is 1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)c(Cl)c3=O)cc2)c1C(F)(F)F.
What is the InChIKey of 1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CNDCNPOOASXVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N4O2/c1-23-15(27)11-8-24-26(14(11)17(20,21)22)10-4-2-9(3-5-10)25-7-6-12(18)13(19)16(25)28/h2-8H,1H3,(H,23,27).
What are the key properties of 1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 431.20 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 163255904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).