2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C15H21N3O — CID 115655543

IUPAC2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCCOC(C)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-19-12(2)9-16-10-14-11-17-18-15(14)13-7-5-4-6-8-13/h4-8,11-12,16H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyNDFKHAATVBMJLA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds7

About 2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine

2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 115655543) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID115655543
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCCOC(C)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-19-12(2)9-16-10-14-11-17-18-15(14)13-7-5-4-6-8-13/h4-8,11-12,16H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyNDFKHAATVBMJLA-UHFFFAOYSA-N
XLogP2.59
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 115655543) is 2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine is CCOC(C)CNCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is NDFKHAATVBMJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-19-12(2)9-16-10-14-11-17-18-15(14)13-7-5-4-6-8-13/h4-8,11-12,16H,3,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115655543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).