5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

C19H12ClF4N3O2 — CID 143816734

IUPAC5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)nn(-c2ccccc2F)c1Cl
InChIInChI=1S/C19H12ClF4N3O2/c20-17-13(10-28)16(26-27(17)15-4-2-1-3-14(15)21)18(29)25-9-11-5-7-12(8-6-11)19(22,23)24/h1-8,10H,9H2,(H,25,29)
InChIKeyXCGFODDFCXKZSB-UHFFFAOYSA-N
MW425.77 g/mol
LogP4.43
Rot. Bonds5

About 5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 143816734) has the molecular formula C19H12ClF4N3O2 and a molecular weight of 425.77 g/mol. Its IUPAC name is 5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID143816734
Molecular FormulaC19H12ClF4N3O2
Molecular Weight425.77 g/mol
Exact Mass425.06
IUPAC Name5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)nn(-c2ccccc2F)c1Cl
InChIInChI=1S/C19H12ClF4N3O2/c20-17-13(10-28)16(26-27(17)15-4-2-1-3-14(15)21)18(29)25-9-11-5-7-12(8-6-11)19(22,23)24/h1-8,10H,9H2,(H,25,29)
InChIKeyXCGFODDFCXKZSB-UHFFFAOYSA-N
XLogP4.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-3,5-dioxo-N-(pyridin-4-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxamide
CID 46003812
5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 143816739
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
5-chloro-1-(2-chlorophenyl)-4-formylpyrazole-3-carboxylic acid
CID 21113079
4-benzyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46003772
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]pyridazine-3-carboxamide
CID 55545731
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
N-[(2S)-butan-2-yl]-2-(2-fluorophenyl)-3,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxamide
CID 93158789
N,4-dibenzyl-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 42836139
1-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112824216
1-(2-fluorophenyl)-6-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyridazine-3-carboxamide
CID 55461205

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 143816734) is 5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is O=Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)nn(-c2ccccc2F)c1Cl.
What is the InChIKey of 5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is XCGFODDFCXKZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4N3O2/c20-17-13(10-28)16(26-27(17)15-4-2-1-3-14(15)21)18(29)25-9-11-5-7-12(8-6-11)19(22,23)24/h1-8,10H,9H2,(H,25,29).
What are the key properties of 5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 425.77 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-fluorophenyl)-4-formyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 143816734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).