2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide

C19H17F3N4O2 — CID 56749485

IUPAC2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide
SMILESCc1ccnn1CC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O2/c1-13-7-9-25-26(13)12-17(27)24-11-14-4-3-8-23-18(14)28-16-6-2-5-15(10-16)19(20,21)22/h2-10H,11-12H2,1H3,(H,24,27)
InChIKeyZTSGJRSSBIFXLG-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.71
Rot. Bonds6

About 2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide

2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide (PubChem CID 56749485) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide
PubChem CID56749485
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide
SMILESCc1ccnn1CC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O2/c1-13-7-9-25-26(13)12-17(27)24-11-14-4-3-8-23-18(14)28-16-6-2-5-15(10-16)19(20,21)22/h2-10H,11-12H2,1H3,(H,24,27)
InChIKeyZTSGJRSSBIFXLG-UHFFFAOYSA-N
XLogP3.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide (CID 56749485) is 2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide is Cc1ccnn1CC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide?
The InChIKey is ZTSGJRSSBIFXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-13-7-9-25-26(13)12-17(27)24-11-14-4-3-8-23-18(14)28-16-6-2-5-15(10-16)19(20,21)22/h2-10H,11-12H2,1H3,(H,24,27).
What are the key properties of 2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide?
2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide has a molecular weight of 390.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 56749485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).