3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline

C18H20N4O — CID 75385325

IUPAC3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESCCOCc1cccc(NCc2cn[nH]c2-c2cccnc2)c1
InChIInChI=1S/C18H20N4O/c1-2-23-13-14-5-3-7-17(9-14)20-11-16-12-21-22-18(16)15-6-4-8-19-10-15/h3-10,12,20H,2,11,13H2,1H3,(H,21,22)
InChIKeyCQDXYVNWXQWVJT-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.62
Rot. Bonds7

About 3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline

3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 75385325) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID75385325
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESCCOCc1cccc(NCc2cn[nH]c2-c2cccnc2)c1
InChIInChI=1S/C18H20N4O/c1-2-23-13-14-5-3-7-17(9-14)20-11-16-12-21-22-18(16)15-6-4-8-19-10-15/h3-10,12,20H,2,11,13H2,1H3,(H,21,22)
InChIKeyCQDXYVNWXQWVJT-UHFFFAOYSA-N
XLogP3.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline (CID 75385325) is 3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline is CCOCc1cccc(NCc2cn[nH]c2-c2cccnc2)c1.
What is the InChIKey of 3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is CQDXYVNWXQWVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-23-13-14-5-3-7-17(9-14)20-11-16-12-21-22-18(16)15-6-4-8-19-10-15/h3-10,12,20H,2,11,13H2,1H3,(H,21,22).
What are the key properties of 3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 308.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 75385325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).