N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine

C21H23F3N4O — CID 121429592

IUPACN-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILESCN(CCOC(c1ccccc1)c1ccnn1C)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H23F3N4O/c1-27(15-16-8-9-19(25-14-16)21(22,23)24)12-13-29-20(17-6-4-3-5-7-17)18-10-11-26-28(18)2/h3-11,14,20H,12-13,15H2,1-2H3
InChIKeyDLAWTVDSQXKUQG-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.07
Rot. Bonds8

About N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine

N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (PubChem CID 121429592) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
PubChem CID121429592
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC NameN-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILESCN(CCOC(c1ccccc1)c1ccnn1C)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H23F3N4O/c1-27(15-16-8-9-19(25-14-16)21(22,23)24)12-13-29-20(17-6-4-3-5-7-17)18-10-11-26-28(18)2/h3-11,14,20H,12-13,15H2,1-2H3
InChIKeyDLAWTVDSQXKUQG-UHFFFAOYSA-N
XLogP4.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (CID 121429592) is N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is CN(CCOC(c1ccccc1)c1ccnn1C)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is DLAWTVDSQXKUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O/c1-27(15-16-8-9-19(25-14-16)21(22,23)24)12-13-29-20(17-6-4-3-5-7-17)18-10-11-26-28(18)2/h3-11,14,20H,12-13,15H2,1-2H3.
What are the key properties of N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 404.44 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 121429592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).