N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine

C15H21N3O — CID 81346176

IUPACN-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2cc(C)nn2C)c1
InChIInChI=1S/C15H21N3O/c1-4-16-10-13-6-5-7-14(9-13)11-19-15-8-12(2)17-18(15)3/h5-9,16H,4,10-11H2,1-3H3
InChIKeyNUEMOKVKOVPRRN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.42
Rot. Bonds6

About N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine

N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine (PubChem CID 81346176) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine
PubChem CID81346176
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2cc(C)nn2C)c1
InChIInChI=1S/C15H21N3O/c1-4-16-10-13-6-5-7-14(9-13)11-19-15-8-12(2)17-18(15)3/h5-9,16H,4,10-11H2,1-3H3
InChIKeyNUEMOKVKOVPRRN-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
US11576897, Example 20
CID 56600157
US10183913, Example 31
CID 56600545
US10183913, Example 33
CID 56600546
US10183913, Example 144
CID 56600955
US10183913, Example 147
CID 56600958
US10183913, Example 269
CID 56601153
US10183913, Example 315
CID 56601348
US10183913, Example 258
CID 56601749
US10183913, Example 447
CID 56601947

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine (CID 81346176) is N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine is CCNCc1cccc(COc2cc(C)nn2C)c1.
What is the InChIKey of N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine?
The InChIKey is NUEMOKVKOVPRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-16-10-13-6-5-7-14(9-13)11-19-15-8-12(2)17-18(15)3/h5-9,16H,4,10-11H2,1-3H3.
What are the key properties of N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine?
N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 81346176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).