2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine

C20H23N3O2 — CID 17450711

IUPAC2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCOc1ccc(CCNCc2cn[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-24-18-7-3-15(4-8-18)11-12-21-13-17-14-22-23-20(17)16-5-9-19(25-2)10-6-16/h3-10,14,21H,11-13H2,1-2H3,(H,22,23)
InChIKeyHFLAVKIEHFKEGH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.43
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine

2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 17450711) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID17450711
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCOc1ccc(CCNCc2cn[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-24-18-7-3-15(4-8-18)11-12-21-13-17-14-22-23-20(17)16-5-9-19(25-2)10-6-16/h3-10,14,21H,11-13H2,1-2H3,(H,22,23)
InChIKeyHFLAVKIEHFKEGH-UHFFFAOYSA-N
XLogP3.43
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.43
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-(4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 132891753
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
CID 111425263
N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-2-(1H-pyrazol-4-yl)ethanamine
CID 31054586
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine;hydrochloride
CID 51114916
1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
CID 110929429
2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758750
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645
1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 110889941
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine
CID 143794069

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine (CID 17450711) is 2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine is COc1ccc(CCNCc2cn[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is HFLAVKIEHFKEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-24-18-7-3-15(4-8-18)11-12-21-13-17-14-22-23-20(17)16-5-9-19(25-2)10-6-16/h3-10,14,21H,11-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 337.42 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 17450711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).