(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine

C15H21N3O — CID 105145003

IUPAC(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine
SMILESCCOc1ccccc1C(N)c1cc(C)nn1CC
InChIInChI=1S/C15H21N3O/c1-4-18-13(10-11(3)17-18)15(16)12-8-6-7-9-14(12)19-5-2/h6-10,15H,4-5,16H2,1-3H3
InChIKeyIHKVGLXBMAFRRV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.66
Rot. Bonds5

About (2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine

(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine (PubChem CID 105145003) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine
PubChem CID105145003
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine
SMILESCCOc1ccccc1C(N)c1cc(C)nn1CC
InChIInChI=1S/C15H21N3O/c1-4-18-13(10-11(3)17-18)15(16)12-8-6-7-9-14(12)19-5-2/h6-10,15H,4-5,16H2,1-3H3
InChIKeyIHKVGLXBMAFRRV-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105145044
(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176567
(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 79025610
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 105092804
(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine
CID 105100495
[(1,3-diethylpyrazol-5-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 105304394
(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 79025693
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 113330367
[(3-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]hydrazine
CID 105328071
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine
CID 61346900

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
The IUPAC name of (2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine (CID 105145003) is (2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine is CCOc1ccccc1C(N)c1cc(C)nn1CC.
What is the InChIKey of (2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
The InChIKey is IHKVGLXBMAFRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-13(10-11(3)17-18)15(16)12-8-6-7-9-14(12)19-5-2/h6-10,15H,4-5,16H2,1-3H3.
What are the key properties of (2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105145003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).