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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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).