N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C16H18F3N3O2 — CID 51103752

IUPACN-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cnn(CC)c1C(F)(F)F
InChIInChI=1S/C16H18F3N3O2/c1-3-22-14(16(17,18)19)12(10-21-22)15(23)20-9-11-7-5-6-8-13(11)24-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,20,23)
InChIKeyAASYWIXRJSZNPQ-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.25
Rot. Bonds6

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

N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 51103752) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID51103752
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cnn(CC)c1C(F)(F)F
InChIInChI=1S/C16H18F3N3O2/c1-3-22-14(16(17,18)19)12(10-21-22)15(23)20-9-11-7-5-6-8-13(11)24-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,20,23)
InChIKeyAASYWIXRJSZNPQ-UHFFFAOYSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 51103752) is N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CCOc1ccccc1CNC(=O)c1cnn(CC)c1C(F)(F)F.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is AASYWIXRJSZNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-3-22-14(16(17,18)19)12(10-21-22)15(23)20-9-11-7-5-6-8-13(11)24-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,20,23).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51103752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).