5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

C20H18F3N3O2 — CID 73213156

IUPAC5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2C)cc1
InChIInChI=1S/C20H18F3N3O2/c1-13-3-5-15(6-4-13)12-26-14(2)11-18(25-26)19(27)24-16-7-9-17(10-8-16)28-20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeySARDIZODJRHISM-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.70
Rot. Bonds5

About 5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (PubChem CID 73213156) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
PubChem CID73213156
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2C)cc1
InChIInChI=1S/C20H18F3N3O2/c1-13-3-5-15(6-4-13)12-26-14(2)11-18(25-26)19(27)24-16-7-9-17(10-8-16)28-20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeySARDIZODJRHISM-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (CID 73213156) is 5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is Cc1ccc(Cn2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2C)cc1.
What is the InChIKey of 5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The InChIKey is SARDIZODJRHISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-13-3-5-15(6-4-13)12-26-14(2)11-18(25-26)19(27)24-16-7-9-17(10-8-16)28-20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27).
What are the key properties of 5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(4-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 73213156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).