N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine

C16H23N3O2 — CID 61491744

IUPACN-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccc1OCCn1cccn1
InChIInChI=1S/C16H23N3O2/c1-3-7-17-13-14-12-15(20-2)5-6-16(14)21-11-10-19-9-4-8-18-19/h4-6,8-9,12,17H,3,7,10-11,13H2,1-2H3
InChIKeyOYJVKEQAVWLBSB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.47
Rot. Bonds9

About N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine

N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine (PubChem CID 61491744) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
PubChem CID61491744
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccc1OCCn1cccn1
InChIInChI=1S/C16H23N3O2/c1-3-7-17-13-14-12-15(20-2)5-6-16(14)21-11-10-19-9-4-8-18-19/h4-6,8-9,12,17H,3,7,10-11,13H2,1-2H3
InChIKeyOYJVKEQAVWLBSB-UHFFFAOYSA-N
XLogP2.47
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.47
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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Related Compounds

N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491520
N-[[5-bromo-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63058034
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
N-[[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 115942152
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547
N-[(5-bromo-2-propoxyphenyl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592081
N-[(5-methoxy-2-pent-3-ynoxyphenyl)methyl]propan-1-amine
CID 104804351
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491603
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 61491521
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60880225
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine (CID 61491744) is N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cc(OC)ccc1OCCn1cccn1.
What is the InChIKey of N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is OYJVKEQAVWLBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-7-17-13-14-12-15(20-2)5-6-16(14)21-11-10-19-9-4-8-18-19/h4-6,8-9,12,17H,3,7,10-11,13H2,1-2H3.
What are the key properties of N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61491744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).