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

C15H17F3N4O2 — CID 51103867

IUPACN-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2cnn(CC)c2C(F)(F)F)ccn1
InChIInChI=1S/C15H17F3N4O2/c1-3-22-13(15(16,17)18)11(9-21-22)14(23)20-8-10-5-6-19-12(7-10)24-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,20,23)
InChIKeyQWVMTWAWLZOBMC-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.65
Rot. Bonds6

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

N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 51103867) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID51103867
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC NameN-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2cnn(CC)c2C(F)(F)F)ccn1
InChIInChI=1S/C15H17F3N4O2/c1-3-22-13(15(16,17)18)11(9-21-22)14(23)20-8-10-5-6-19-12(7-10)24-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,20,23)
InChIKeyQWVMTWAWLZOBMC-UHFFFAOYSA-N
XLogP2.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 51103867) is N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CCOc1cc(CNC(=O)c2cnn(CC)c2C(F)(F)F)ccn1.
What is the InChIKey of N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is QWVMTWAWLZOBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-3-22-13(15(16,17)18)11(9-21-22)14(23)20-8-10-5-6-19-12(7-10)24-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,20,23).
What are the key properties of N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51103867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).