N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C14H14F3N3O2 — CID 19267595

IUPACN-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C14H14F3N3O2/c1-8-4-5-11(22-3)9(6-8)18-13(21)10-7-12(14(15,16)17)20(2)19-10/h4-7H,1-3H3,(H,18,21)
InChIKeyMWZXXXPIJOKASG-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.01
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267595) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267595
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C14H14F3N3O2/c1-8-4-5-11(22-3)9(6-8)18-13(21)10-7-12(14(15,16)17)20(2)19-10/h4-7H,1-3H3,(H,18,21)
InChIKeyMWZXXXPIJOKASG-UHFFFAOYSA-N
XLogP3.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001916
1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 46270511
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407
N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681625
N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267596
N-(2-chloro-4-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 50945386
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267592
5-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336892
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
5-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 50814824

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267595) is N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is MWZXXXPIJOKASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8-4-5-11(22-3)9(6-8)18-13(21)10-7-12(14(15,16)17)20(2)19-10/h4-7H,1-3H3,(H,18,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).