N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine

C19H30N4O — CID 19625042

IUPACN-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine
SMILESCCN(CC)Cc1cc(CNCc2ccnn2CC)ccc1OC
InChIInChI=1S/C19H30N4O/c1-5-22(6-2)15-17-12-16(8-9-19(17)24-4)13-20-14-18-10-11-21-23(18)7-3/h8-12,20H,5-7,13-15H2,1-4H3
InChIKeyZXYGLUWFWMEJGW-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.04
Rot. Bonds10

About N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine

N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine (PubChem CID 19625042) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine
PubChem CID19625042
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine
SMILESCCN(CC)Cc1cc(CNCc2ccnn2CC)ccc1OC
InChIInChI=1S/C19H30N4O/c1-5-22(6-2)15-17-12-16(8-9-19(17)24-4)13-20-14-18-10-11-21-23(18)7-3/h8-12,20H,5-7,13-15H2,1-4H3
InChIKeyZXYGLUWFWMEJGW-UHFFFAOYSA-N
XLogP3.04
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine
CID 19625048
[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol
CID 113334884
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761553
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625014
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746117
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619277
1-(2-methoxy-4-pyridinyl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 114555758
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850130
N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625166
5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
CID 19627526
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine (CID 19625042) is N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine is CCN(CC)Cc1cc(CNCc2ccnn2CC)ccc1OC.
What is the InChIKey of N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine?
The InChIKey is ZXYGLUWFWMEJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-5-22(6-2)15-17-12-16(8-9-19(17)24-4)13-20-14-18-10-11-21-23(18)7-3/h8-12,20H,5-7,13-15H2,1-4H3.
What are the key properties of N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine?
N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine has a molecular weight of 330.48 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 19625042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).