1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine

C15H21N3O — CID 102812078

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCCc1nn(C)cc1C(N)Cc1ccccc1OC
InChIInChI=1S/C15H21N3O/c1-4-14-12(10-18(2)17-14)13(16)9-11-7-5-6-8-15(11)19-3/h5-8,10,13H,4,9,16H2,1-3H3
InChIKeyOQXMNRBKILJUPO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.23
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine

1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 102812078) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine
PubChem CID102812078
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCCc1nn(C)cc1C(N)Cc1ccccc1OC
InChIInChI=1S/C15H21N3O/c1-4-14-12(10-18(2)17-14)13(16)9-11-7-5-6-8-15(11)19-3/h5-8,10,13H,4,9,16H2,1-3H3
InChIKeyOQXMNRBKILJUPO-UHFFFAOYSA-N
XLogP2.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133
2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 102811982
methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
CID 103955778
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064883
2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126355
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 102812630
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107599
2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802123

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine (CID 102812078) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine is CCc1nn(C)cc1C(N)Cc1ccccc1OC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is OQXMNRBKILJUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-14-12(10-18(2)17-14)13(16)9-11-7-5-6-8-15(11)19-3/h5-8,10,13H,4,9,16H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 102812078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).