N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide

C16H19F3N4O2 — CID 12009736

IUPACN,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide
SMILESCC(C)C(=O)N(C)Cc1cccc(Oc2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C16H19F3N4O2/c1-10(2)15(24)22(3)9-11-6-5-7-13(20-11)25-14-8-12(16(17,18)19)21-23(14)4/h5-8,10H,9H2,1-4H3
InChIKeyATRKSBAXAHGAOX-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.24
Rot. Bonds5

About N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide

N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide (PubChem CID 12009736) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide
PubChem CID12009736
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC NameN,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide
SMILESCC(C)C(=O)N(C)Cc1cccc(Oc2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C16H19F3N4O2/c1-10(2)15(24)22(3)9-11-6-5-7-13(20-11)25-14-8-12(16(17,18)19)21-23(14)4/h5-8,10H,9H2,1-4H3
InChIKeyATRKSBAXAHGAOX-UHFFFAOYSA-N
XLogP3.24
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[1-(3,4-Difluorophenyl)-5-methylpyrazol-3-yl]oxyethyl]piperazin-1-yl]ethanone
CID 168279516
N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 72005745
2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 10135028
2-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 10271739
2-(1-Methyl-3-trifluoromethylpyrazol-5-yloxy)-6-(aminomethyl)-pyridine
CID 11149948
2-(1-Methyl-3-trifluoromethylpyrazol-5-yloxy)-6-cyanopyridine
CID 11437094
2-(1-Methyl-3-trifluoromethylpyrazol-5-yloxy)-6-(methylaminomethyl)-pyridine
CID 12009735
2-(1-Methyl-3-trifluoromethylpyrazol-5-yloxy)-6-(formylaminomethyl)-pyridine
CID 12010723
2-(1-Methyl-3-trifluoromethylpyrazol-5-yloxy)-4-methyl-6-(4-methylpent-1-yn-3-enyl)-pyridine
CID 12137496
2-(Cyclohex-3-en-1-ylmethoxy)-4-methyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 17785232
2-(Cyclopenten-1-ylmethoxy)-4-methyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 17785233
2-Fluoro-6-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)pyridine
CID 17980398

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide (CID 12009736) is N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide is CC(C)C(=O)N(C)Cc1cccc(Oc2cc(C(F)(F)F)nn2C)n1.
What is the InChIKey of N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide?
The InChIKey is ATRKSBAXAHGAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-10(2)15(24)22(3)9-11-6-5-7-13(20-11)25-14-8-12(16(17,18)19)21-23(14)4/h5-8,10H,9H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide?
N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide has a molecular weight of 356.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide is sourced from PubChem (CID 12009736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).