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

C13H12F3N3O2 — CID 19267596

IUPACN-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)c1
InChIInChI=1S/C13H12F3N3O2/c1-19-11(13(14,15)16)7-10(18-19)12(20)17-8-4-3-5-9(6-8)21-2/h3-7H,1-2H3,(H,17,20)
InChIKeyMTLQGSYLPNMVKG-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.70
Rot. Bonds3

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

N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267596) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267596
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)c1
InChIInChI=1S/C13H12F3N3O2/c1-19-11(13(14,15)16)7-10(18-19)12(20)17-8-4-3-5-9(6-8)21-2/h3-7H,1-2H3,(H,17,20)
InChIKeyMTLQGSYLPNMVKG-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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Related Compounds

N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 46270511
1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001916
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267765
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
N-(3-chloro-4-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001423
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789
N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267595
N-(3-acetylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336411
3-bromo-N-(3-methoxyphenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462399
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267596) is N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is COc1cccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is MTLQGSYLPNMVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-19-11(13(14,15)16)7-10(18-19)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-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-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-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).