2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine

C13H17N3O — CID 54930677

IUPAC2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
SMILESCn1cc(COc2cccc(CCN)c2)cn1
InChIInChI=1S/C13H17N3O/c1-16-9-12(8-15-16)10-17-13-4-2-3-11(7-13)5-6-14/h2-4,7-9H,5-6,10,14H2,1H3
InChIKeyYBZKBHLCEORATF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.50
Rot. Bonds5

About 2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine

2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 54930677) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID54930677
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
SMILESCn1cc(COc2cccc(CCN)c2)cn1
InChIInChI=1S/C13H17N3O/c1-16-9-12(8-15-16)10-17-13-4-2-3-11(7-13)5-6-14/h2-4,7-9H,5-6,10,14H2,1H3
InChIKeyYBZKBHLCEORATF-UHFFFAOYSA-N
XLogP1.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
CID 54928987
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
1-methyl-4-phenylmethoxypyrazole
CID 84661432
4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
CID 39205636
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002
1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003
N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999603
2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 107675415
4-[[3-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62127453

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine (CID 54930677) is 2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine is Cn1cc(COc2cccc(CCN)c2)cn1.
What is the InChIKey of 2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is YBZKBHLCEORATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-9-12(8-15-16)10-17-13-4-2-3-11(7-13)5-6-14/h2-4,7-9H,5-6,10,14H2,1H3.
What are the key properties of 2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 54930677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).