2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine

C19H21FN4O — CID 126769123

IUPAC2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine
SMILESCN(CCOc1ccccc1F)Cc1cn(C)nc1-c1cccnc1
InChIInChI=1S/C19H21FN4O/c1-23(10-11-25-18-8-4-3-7-17(18)20)13-16-14-24(2)22-19(16)15-6-5-9-21-12-15/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyHQMPZAJCZSCGMR-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.13
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine

2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 126769123) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID126769123
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine
SMILESCN(CCOc1ccccc1F)Cc1cn(C)nc1-c1cccnc1
InChIInChI=1S/C19H21FN4O/c1-23(10-11-25-18-8-4-3-7-17(18)20)13-16-14-24(2)22-19(16)15-6-5-9-21-12-15/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyHQMPZAJCZSCGMR-UHFFFAOYSA-N
XLogP3.13
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine (CID 126769123) is 2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine is CN(CCOc1ccccc1F)Cc1cn(C)nc1-c1cccnc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is HQMPZAJCZSCGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-23(10-11-25-18-8-4-3-7-17(18)20)13-16-14-24(2)22-19(16)15-6-5-9-21-12-15/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of 2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine?
2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 340.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 126769123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).