N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C18H14F3N3O — CID 2811597

IUPACN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C18H14F3N3O/c1-24-16(22-17(25)13-10-6-3-7-11-13)14(12-8-4-2-5-9-12)15(23-24)18(19,20)21/h2-11H,1H3,(H,22,25)
InChIKeyKQMYWELJGGXOAK-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.36
Rot. Bonds3

About N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 2811597) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID2811597
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC NameN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C18H14F3N3O/c1-24-16(22-17(25)13-10-6-3-7-11-13)14(12-8-4-2-5-9-12)15(23-24)18(19,20)21/h2-11H,1H3,(H,22,25)
InChIKeyKQMYWELJGGXOAK-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 2811597) is N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is Cn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1ccccc1.
What is the InChIKey of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is KQMYWELJGGXOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-24-16(22-17(25)13-10-6-3-7-11-13)14(12-8-4-2-5-9-12)15(23-24)18(19,20)21/h2-11H,1H3,(H,22,25).
What are the key properties of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 345.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 2811597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).