N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H14F3N3O2 — CID 3516648

IUPACN-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O2/c1-26-14-9-7-12(8-10-14)23-17(25)15-11-22-24(16(15)18(19,20)21)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,25)
InChIKeyWDMZBTOFYLKSED-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.15
Rot. Bonds4

About N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 3516648) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID3516648
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC NameN-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O2/c1-26-14-9-7-12(8-10-14)23-17(25)15-11-22-24(16(15)18(19,20)21)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,25)
InChIKeyWDMZBTOFYLKSED-UHFFFAOYSA-N
XLogP4.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 3516648) is N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WDMZBTOFYLKSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-26-14-9-7-12(8-10-14)23-17(25)15-11-22-24(16(15)18(19,20)21)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 3516648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).