N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide

C15H19F3N4O2 — CID 175291764

IUPACN-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
SMILESCNC(=O)CN1C=CCN1Cc1cnc(OCC(F)(F)F)c(C)c1
InChIInChI=1S/C15H19F3N4O2/c1-11-6-12(7-20-14(11)24-10-15(16,17)18)8-21-4-3-5-22(21)9-13(23)19-2/h3,5-7H,4,8-10H2,1-2H3,(H,19,23)
InChIKeyQLEKBESEFZZMIA-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.62
Rot. Bonds6

About N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide

N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide (PubChem CID 175291764) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
PubChem CID175291764
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC NameN-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
SMILESCNC(=O)CN1C=CCN1Cc1cnc(OCC(F)(F)F)c(C)c1
InChIInChI=1S/C15H19F3N4O2/c1-11-6-12(7-20-14(11)24-10-15(16,17)18)8-21-4-3-5-22(21)9-13(23)19-2/h3,5-7H,4,8-10H2,1-2H3,(H,19,23)
InChIKeyQLEKBESEFZZMIA-UHFFFAOYSA-N
XLogP1.62
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide (CID 175291764) is N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide is CNC(=O)CN1C=CCN1Cc1cnc(OCC(F)(F)F)c(C)c1.
What is the InChIKey of N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide?
The InChIKey is QLEKBESEFZZMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-11-6-12(7-20-14(11)24-10-15(16,17)18)8-21-4-3-5-22(21)9-13(23)19-2/h3,5-7H,4,8-10H2,1-2H3,(H,19,23).
What are the key properties of N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide?
N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide has a molecular weight of 344.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide is sourced from PubChem (CID 175291764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).