(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine

C15H21N3O — CID 102812331

IUPAC(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCOc1ccccc1C(N)c1cn(C)nc1CC
InChIInChI=1S/C15H21N3O/c1-4-13-12(10-18(3)17-13)15(16)11-8-6-7-9-14(11)19-5-2/h6-10,15H,4-5,16H2,1-3H3
InChIKeyKRKPVAJKNOXNKU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.43
Rot. Bonds5

About (2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine

(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine (PubChem CID 102812331) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
PubChem CID102812331
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCOc1ccccc1C(N)c1cn(C)nc1CC
InChIInChI=1S/C15H21N3O/c1-4-13-12(10-18(3)17-13)15(16)11-8-6-7-9-14(11)19-5-2/h6-10,15H,4-5,16H2,1-3H3
InChIKeyKRKPVAJKNOXNKU-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 115885602
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 102812078
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine
CID 103138051
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 113330367
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949
(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine
CID 102812033
(3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 102812112
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102812396
(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812253
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885559

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine (CID 102812331) is (2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine is CCOc1ccccc1C(N)c1cn(C)nc1CC.
What is the InChIKey of (2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The InChIKey is KRKPVAJKNOXNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-13-12(10-18(3)17-13)15(16)11-8-6-7-9-14(11)19-5-2/h6-10,15H,4-5,16H2,1-3H3.
What are the key properties of (2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 102812331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).