[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine

C15H21N3O2 — CID 102999274

IUPAC[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCCc1cnn(C)c1
InChIInChI=1S/C15H21N3O2/c1-3-19-15-8-12(9-16)4-5-14(15)20-7-6-13-10-17-18(2)11-13/h4-5,8,10-11H,3,6-7,9,16H2,1-2H3
InChIKeyCQQUVHXWNCDLBD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.90
Rot. Bonds7

About [3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine

[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine (PubChem CID 102999274) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
PubChem CID102999274
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCCc1cnn(C)c1
InChIInChI=1S/C15H21N3O2/c1-3-19-15-8-12(9-16)4-5-14(15)20-7-6-13-10-17-18(2)11-13/h4-5,8,10-11H,3,6-7,9,16H2,1-2H3
InChIKeyCQQUVHXWNCDLBD-UHFFFAOYSA-N
XLogP1.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(bromomethyl)-2-ethoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003729
[3-[2-(1-methylpyrazol-4-yl)ethoxy]-4-nitrophenyl]methanamine
CID 102999722
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 61491518
N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999613
[3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782929
[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493596
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999868
(1R)-1-[3-methoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999803
1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
CID 103016128
3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 62126907

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine (CID 102999274) is [3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine is CCOc1cc(CN)ccc1OCCc1cnn(C)c1.
What is the InChIKey of [3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
The InChIKey is CQQUVHXWNCDLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-19-15-8-12(9-16)4-5-14(15)20-7-6-13-10-17-18(2)11-13/h4-5,8,10-11H,3,6-7,9,16H2,1-2H3.
What are the key properties of [3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine has a molecular weight of 275.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 102999274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).