N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

C15H21N3O — CID 65200592

IUPACN-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccccc1OCC
InChIInChI=1S/C15H21N3O/c1-4-16-15(13-10-11-18(3)17-13)12-8-6-7-9-14(12)19-5-2/h6-11,15-16H,4-5H2,1-3H3
InChIKeyJGYCDIPKMMJHPW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds6

About N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 65200592) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID65200592
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccccc1OCC
InChIInChI=1S/C15H21N3O/c1-4-16-15(13-10-11-18(3)17-13)12-8-6-7-9-14(12)19-5-2/h6-11,15-16H,4-5H2,1-3H3
InChIKeyJGYCDIPKMMJHPW-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200482
N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135731
N-[(1-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 103135601
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65200285
N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106693494
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106645665
N-[(1-methylpyrazol-3-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103134633
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220
N-[(1-methylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 65200804
N-[(2-bromo-5-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103134953
N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105145044
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82808455

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine (CID 65200592) is N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccn(C)n1)c1ccccc1OCC.
What is the InChIKey of N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is JGYCDIPKMMJHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-16-15(13-10-11-18(3)17-13)12-8-6-7-9-14(12)19-5-2/h6-11,15-16H,4-5H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 65200592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).