1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine

C15H21N3O — CID 62125799

IUPAC1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
SMILESCCn1cc(COc2cccc(C(C)NC)c2)cn1
InChIInChI=1S/C15H21N3O/c1-4-18-10-13(9-17-18)11-19-15-7-5-6-14(8-15)12(2)16-3/h5-10,12,16H,4,11H2,1-3H3
InChIKeyFZSDVKLOWUIRMY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.76
Rot. Bonds6

About 1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine

1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine (PubChem CID 62125799) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
PubChem CID62125799
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
SMILESCCn1cc(COc2cccc(C(C)NC)c2)cn1
InChIInChI=1S/C15H21N3O/c1-4-18-10-13(9-17-18)11-19-15-7-5-6-14(8-15)12(2)16-3/h5-10,12,16H,4,11H2,1-3H3
InChIKeyFZSDVKLOWUIRMY-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003
4-[[3-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62127453
[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
CID 62127102
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125623
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883450
N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801740
1-[3-[(3-bromophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883448
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63020641

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine (CID 62125799) is 1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine is CCn1cc(COc2cccc(C(C)NC)c2)cn1.
What is the InChIKey of 1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is FZSDVKLOWUIRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-10-13(9-17-18)11-19-15-7-5-6-14(8-15)12(2)16-3/h5-10,12,16H,4,11H2,1-3H3.
What are the key properties of 1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine?
1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 62125799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).