N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide

C17H11ClF3N3O — CID 21105219

IUPACN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H11ClF3N3O/c18-12-6-8-13(9-7-12)24-15(17(19,20)21)14(10-22-24)23-16(25)11-4-2-1-3-5-11/h1-10H,(H,23,25)
InChIKeyDXXKGRXJXGPDKB-UHFFFAOYSA-N
MW365.74 g/mol
LogP4.80
Rot. Bonds3

About N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide

N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide (PubChem CID 21105219) has the molecular formula C17H11ClF3N3O and a molecular weight of 365.74 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide
PubChem CID21105219
Molecular FormulaC17H11ClF3N3O
Molecular Weight365.74 g/mol
Exact Mass365.05
IUPAC NameN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H11ClF3N3O/c18-12-6-8-13(9-7-12)24-15(17(19,20)21)14(10-22-24)23-16(25)11-4-2-1-3-5-11/h1-10H,(H,23,25)
InChIKeyDXXKGRXJXGPDKB-UHFFFAOYSA-N
XLogP4.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide (CID 21105219) is N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide?
The InChIKey is DXXKGRXJXGPDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O/c18-12-6-8-13(9-7-12)24-15(17(19,20)21)14(10-22-24)23-16(25)11-4-2-1-3-5-11/h1-10H,(H,23,25).
What are the key properties of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide?
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide has a molecular weight of 365.74 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 21105219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).