N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine

C17H25N3O — CID 66441716

IUPACN-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCc1c(CNCCOC)cnn1Cc1ccc(C)cc1
InChIInChI=1S/C17H25N3O/c1-4-17-16(11-18-9-10-21-3)12-19-20(17)13-15-7-5-14(2)6-8-15/h5-8,12,18H,4,9-11,13H2,1-3H3
InChIKeyRYSDOCNJDPRHES-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.54
Rot. Bonds8

About N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 66441716) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID66441716
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCc1c(CNCCOC)cnn1Cc1ccc(C)cc1
InChIInChI=1S/C17H25N3O/c1-4-17-16(11-18-9-10-21-3)12-19-20(17)13-15-7-5-14(2)6-8-15/h5-8,12,18H,4,9-11,13H2,1-3H3
InChIKeyRYSDOCNJDPRHES-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440607
N-[[1-(4-chloro-3-fluorophenyl)-5-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79132895
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441882
2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine
CID 66036894
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 54982266
N-[[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 62731772
2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124817694
[1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol
CID 66437458
2-methoxy-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]ethanamine
CID 83169846
N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442755
2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine
CID 104561561
N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine
CID 114652221

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine (CID 66441716) is N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine is CCc1c(CNCCOC)cnn1Cc1ccc(C)cc1.
What is the InChIKey of N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is RYSDOCNJDPRHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-17-16(11-18-9-10-21-3)12-19-20(17)13-15-7-5-14(2)6-8-15/h5-8,12,18H,4,9-11,13H2,1-3H3.
What are the key properties of N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66441716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).