4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C17H26N4O — CID 51105103

IUPAC4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCOc1cccc(CCNCc2c(C)nn(C)c2N(C)C)c1
InChIInChI=1S/C17H26N4O/c1-13-16(17(20(2)3)21(4)19-13)12-18-10-9-14-7-6-8-15(11-14)22-5/h6-8,11,18H,9-10,12H2,1-5H3
InChIKeyOUDNDZWZJPUBNF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.14
Rot. Bonds7

About 4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 51105103) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID51105103
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCOc1cccc(CCNCc2c(C)nn(C)c2N(C)C)c1
InChIInChI=1S/C17H26N4O/c1-13-16(17(20(2)3)21(4)19-13)12-18-10-9-14-7-6-8-15(11-14)22-5/h6-8,11,18H,9-10,12H2,1-5H3
InChIKeyOUDNDZWZJPUBNF-UHFFFAOYSA-N
XLogP2.14
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 51105103) is 4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is COc1cccc(CCNCc2c(C)nn(C)c2N(C)C)c1.
What is the InChIKey of 4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is OUDNDZWZJPUBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-16(17(20(2)3)21(4)19-13)12-18-10-9-14-7-6-8-15(11-14)22-5/h6-8,11,18H,9-10,12H2,1-5H3.
What are the key properties of 4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 302.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 51105103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).