4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C18H28N4O2 — CID 51105135

IUPAC4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCOCCOc1cccc(CNCc2c(C)nn(C)c2N(C)C)c1
InChIInChI=1S/C18H28N4O2/c1-14-17(18(21(2)3)22(4)20-14)13-19-12-15-7-6-8-16(11-15)24-10-9-23-5/h6-8,11,19H,9-10,12-13H2,1-5H3
InChIKeyFPXIYGPFFBKCHC-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.11
Rot. Bonds9

About 4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 51105135) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID51105135
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCOCCOc1cccc(CNCc2c(C)nn(C)c2N(C)C)c1
InChIInChI=1S/C18H28N4O2/c1-14-17(18(21(2)3)22(4)20-14)13-19-12-15-7-6-8-16(11-15)24-10-9-23-5/h6-8,11,19H,9-10,12-13H2,1-5H3
InChIKeyFPXIYGPFFBKCHC-UHFFFAOYSA-N
XLogP2.11
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 51105135) is 4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is COCCOc1cccc(CNCc2c(C)nn(C)c2N(C)C)c1.
What is the InChIKey of 4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is FPXIYGPFFBKCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-17(18(21(2)3)22(4)20-14)13-19-12-15-7-6-8-16(11-15)24-10-9-23-5/h6-8,11,19H,9-10,12-13H2,1-5H3.
What are the key properties of 4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 332.45 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 51105135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).