1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one

C17H24F3N5O2 — CID 169095652

IUPAC1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one
SMILESCNCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(=O)n(CCOC)c1
InChIInChI=1S/C17H24F3N5O2/c1-21-4-5-24(2)10-13-9-22-23-15(13)12-8-14(17(18,19)20)16(26)25(11-12)6-7-27-3/h8-9,11,21H,4-7,10H2,1-3H3,(H,22,23)
InChIKeyITHUNHSQOVTKIV-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.55
Rot. Bonds9

About 1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one

1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 169095652) has the molecular formula C17H24F3N5O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID169095652
Molecular FormulaC17H24F3N5O2
Molecular Weight387.41 g/mol
Exact Mass387.19
IUPAC Name1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one
SMILESCNCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(=O)n(CCOC)c1
InChIInChI=1S/C17H24F3N5O2/c1-21-4-5-24(2)10-13-9-22-23-15(13)12-8-14(17(18,19)20)16(26)25(11-12)6-7-27-3/h8-9,11,21H,4-7,10H2,1-3H3,(H,22,23)
InChIKeyITHUNHSQOVTKIV-UHFFFAOYSA-N
XLogP1.55
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one (CID 169095652) is 1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one is CNCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(=O)n(CCOC)c1.
What is the InChIKey of 1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is ITHUNHSQOVTKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O2/c1-21-4-5-24(2)10-13-9-22-23-15(13)12-8-14(17(18,19)20)16(26)25(11-12)6-7-27-3/h8-9,11,21H,4-7,10H2,1-3H3,(H,22,23).
What are the key properties of 1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one?
1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 387.41 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 169095652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).