1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine

C14H19N3O2 — CID 82666137

IUPAC1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine
SMILESCOc1nn(C)c(C)c1CNOCc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-11-13(14(18-3)16-17(11)2)9-15-19-10-12-7-5-4-6-8-12/h4-8,15H,9-10H2,1-3H3
InChIKeyUGAXFXKIFUKEKW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.96
Rot. Bonds6

About 1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine

1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine (PubChem CID 82666137) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine
PubChem CID82666137
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine
SMILESCOc1nn(C)c(C)c1CNOCc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-11-13(14(18-3)16-17(11)2)9-15-19-10-12-7-5-4-6-8-12/h4-8,15H,9-10H2,1-3H3
InChIKeyUGAXFXKIFUKEKW-UHFFFAOYSA-N
XLogP1.96
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine (CID 82666137) is 1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine is COc1nn(C)c(C)c1CNOCc1ccccc1.
What is the InChIKey of 1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine?
The InChIKey is UGAXFXKIFUKEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-13(14(18-3)16-17(11)2)9-15-19-10-12-7-5-4-6-8-12/h4-8,15H,9-10H2,1-3H3.
What are the key properties of 1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine?
1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine has a molecular weight of 261.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 82666137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).