2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol

C34H37N3O2 — CID 66690238

IUPAC2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol
SMILESOCCN(Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C34H37N3O2/c38-20-19-37(26-32-24-35-36-34(32)29-13-7-2-8-14-29)25-28-15-16-31-23-33(18-17-30(31)22-28)39-21-9-3-6-12-27-10-4-1-5-11-27/h1-2,4-5,7-8,10-11,13-18,22-24,38H,3,6,9,12,19-21,25-26H2,(H,35,36)
InChIKeyVKBWLNBNUBAYAC-UHFFFAOYSA-N
MW519.69 g/mol
LogP7.02
Rot. Bonds14

About 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol

2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol (PubChem CID 66690238) has the molecular formula C34H37N3O2 and a molecular weight of 519.69 g/mol. Its IUPAC name is 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol
PubChem CID66690238
Molecular FormulaC34H37N3O2
Molecular Weight519.69 g/mol
Exact Mass519.29
IUPAC Name2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol
SMILESOCCN(Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C34H37N3O2/c38-20-19-37(26-32-24-35-36-34(32)29-13-7-2-8-14-29)25-28-15-16-31-23-33(18-17-30(31)22-28)39-21-9-3-6-12-27-10-4-1-5-11-27/h1-2,4-5,7-8,10-11,13-18,22-24,38H,3,6,9,12,19-21,25-26H2,(H,35,36)
InChIKeyVKBWLNBNUBAYAC-UHFFFAOYSA-N
XLogP7.02
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689958
2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689302
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol
CID 66689165
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689998
N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 3914171
3-[[6-[4-(2-chlorophenyl)butoxy]naphthalen-2-yl]methyl-(2-hydroxyethyl)amino]propanoic acid
CID 174496687
3-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-propylamino]propanoic acid
CID 23121570
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol
CID 66689482
2-[2-hydroxyethyl-[4-[4-(2-phenylethyl)phenoxy]butyl]amino]ethanol
CID 20544935
N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
CID 66853441
2-(3-phenylpropoxy)naphthalene
CID 13432986
6-(4-phenylbutoxy)naphthalene-2-carbaldehyde
CID 86087627

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol (CID 66690238) is 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol is OCCN(Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1)Cc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol?
The InChIKey is VKBWLNBNUBAYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O2/c38-20-19-37(26-32-24-35-36-34(32)29-13-7-2-8-14-29)25-28-15-16-31-23-33(18-17-30(31)22-28)39-21-9-3-6-12-27-10-4-1-5-11-27/h1-2,4-5,7-8,10-11,13-18,22-24,38H,3,6,9,12,19-21,25-26H2,(H,35,36).
What are the key properties of 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol?
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol has a molecular weight of 519.69 g/mol, XLogP of 7.02, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 66690238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).