N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C13H12F3N3O2 — CID 5298176

IUPACN-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C13H12F3N3O2/c1-19-10(7-11(18-19)13(14,15)16)12(20)17-8-4-3-5-9(6-8)21-2/h3-7H,1-2H3,(H,17,20)
InChIKeyZVFYJJCGRIBHDL-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.70
Rot. Bonds3

About N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 5298176) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID5298176
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C13H12F3N3O2/c1-19-10(7-11(18-19)13(14,15)16)12(20)17-8-4-3-5-9(6-8)21-2/h3-7H,1-2H3,(H,17,20)
InChIKeyZVFYJJCGRIBHDL-UHFFFAOYSA-N
XLogP2.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 5298176) is N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1cccc(NC(=O)c2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ZVFYJJCGRIBHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-19-10(7-11(18-19)13(14,15)16)12(20)17-8-4-3-5-9(6-8)21-2/h3-7H,1-2H3,(H,17,20).
What are the key properties of N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 5298176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).