N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine

C15H21N3O — CID 115762173

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCCn1nccc1CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-4-18-14(9-10-17-18)11-16-12(2)13-5-7-15(19-3)8-6-13/h5-10,12,16H,4,11H2,1-3H3
InChIKeyCUBIRIUDPWBLOC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.76
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine

N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 115762173) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID115762173
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCCn1nccc1CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-4-18-14(9-10-17-18)11-16-12(2)13-5-7-15(19-3)8-6-13/h5-10,12,16H,4,11H2,1-3H3
InChIKeyCUBIRIUDPWBLOC-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

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Related Compounds

1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555894
1-(2,5-dimethoxyphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761519
(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104939439
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242004
(1S)-N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 104939449
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 81370559
N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide
CID 115761611
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 115762173) is N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine is CCn1nccc1CNC(C)c1ccc(OC)cc1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is CUBIRIUDPWBLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-14(9-10-17-18)11-16-12(2)13-5-7-15(19-3)8-6-13/h5-10,12,16H,4,11H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine 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 N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115762173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).