N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C16H18F3N3O3 — CID 19267592

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C(F)(F)F)n(C)n2)cc1OC
InChIInChI=1S/C16H18F3N3O3/c1-22-14(16(17,18)19)9-11(21-22)15(23)20-7-6-10-4-5-12(24-2)13(8-10)25-3/h4-5,8-9H,6-7H2,1-3H3,(H,20,23)
InChIKeyOYYSUFCWSUSHJG-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267592) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267592
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C(F)(F)F)n(C)n2)cc1OC
InChIInChI=1S/C16H18F3N3O3/c1-22-14(16(17,18)19)9-11(21-22)15(23)20-7-6-10-4-5-12(24-2)13(8-10)25-3/h4-5,8-9H,6-7H2,1-3H3,(H,20,23)
InChIKeyOYYSUFCWSUSHJG-UHFFFAOYSA-N
XLogP2.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268180
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761
4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266143
N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416871
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267595
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 15994186
(5R,7S)-5-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1079240
1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 46270511
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31757976
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride
CID 119998901

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267592) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is COc1ccc(CCNC(=O)c2cc(C(F)(F)F)n(C)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is OYYSUFCWSUSHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-22-14(16(17,18)19)9-11(21-22)15(23)20-7-6-10-4-5-12(24-2)13(8-10)25-3/h4-5,8-9H,6-7H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 357.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).