1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine

C20H31N3O2 — CID 119122606

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine
SMILESCCCCCOc1cc(CNC(C)c2cn(C)nc2C)ccc1OC
InChIInChI=1S/C20H31N3O2/c1-6-7-8-11-25-20-12-17(9-10-19(20)24-5)13-21-15(2)18-14-23(4)22-16(18)3/h9-10,12,14-15,21H,6-8,11,13H2,1-5H3
InChIKeyIQXINTRJVMMLNG-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.16
Rot. Bonds10

About 1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine (PubChem CID 119122606) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine
PubChem CID119122606
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine
SMILESCCCCCOc1cc(CNC(C)c2cn(C)nc2C)ccc1OC
InChIInChI=1S/C20H31N3O2/c1-6-7-8-11-25-20-12-17(9-10-19(20)24-5)13-21-15(2)18-14-23(4)22-16(18)3/h9-10,12,14-15,21H,6-8,11,13H2,1-5H3
InChIKeyIQXINTRJVMMLNG-UHFFFAOYSA-N
XLogP4.16
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 119122611
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65197276
N-[(3,4-dimethoxyphenyl)methyl]octan-2-amine
CID 43085029
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)ethanamine
CID 19625214
(1R)-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 95772855
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
2-[4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methoxyphenoxy]ethanol
CID 110010225
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 19625240
N-[(4-butoxy-3-ethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 119164163
N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 39356684

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine (CID 119122606) is 1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine is CCCCCOc1cc(CNC(C)c2cn(C)nc2C)ccc1OC.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine?
The InChIKey is IQXINTRJVMMLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-6-7-8-11-25-20-12-17(9-10-19(20)24-5)13-21-15(2)18-14-23(4)22-16(18)3/h9-10,12,14-15,21H,6-8,11,13H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine has a molecular weight of 345.49 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 119122606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).