5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide

C19H14ClF3N4O2 — CID 27812683

IUPAC5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H14ClF3N4O2/c1-10-15(18(20)27(26-10)11-5-3-2-4-6-11)19(29)24-9-14(28)25-13-8-7-12(21)16(22)17(13)23/h2-8H,9H2,1H3,(H,24,29)(H,25,28)
InChIKeyRNUTZZPDPYYFEW-UHFFFAOYSA-N
MW422.79 g/mol
LogP3.62
Rot. Bonds5

About 5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide

5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 27812683) has the molecular formula C19H14ClF3N4O2 and a molecular weight of 422.79 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID27812683
Molecular FormulaC19H14ClF3N4O2
Molecular Weight422.79 g/mol
Exact Mass422.08
IUPAC Name5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H14ClF3N4O2/c1-10-15(18(20)27(26-10)11-5-3-2-4-6-11)19(29)24-9-14(28)25-13-8-7-12(21)16(22)17(13)23/h2-8H,9H2,1H3,(H,24,29)(H,25,28)
InChIKeyRNUTZZPDPYYFEW-UHFFFAOYSA-N
XLogP3.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.79
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612
methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 46601601
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 27781334
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
1-(3-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazole-4-carboxamide
CID 55874321
5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 155964290
1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide
CID 55630701
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide
CID 55482520
5-chloro-N,3-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 38763661
5-chloro-N-(4-fluoro-3-nitrophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 94866770
5-chloro-3-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 4780426
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1147396

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide (CID 27812683) is 5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is RNUTZZPDPYYFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O2/c1-10-15(18(20)27(26-10)11-5-3-2-4-6-11)19(29)24-9-14(28)25-13-8-7-12(21)16(22)17(13)23/h2-8H,9H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide?
5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 422.79 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 27812683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).