2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine

C18H18ClN3O — CID 71149486

IUPAC2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine
SMILESNCCOCc1ccc(-c2cn[nH]c2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O/c19-17-5-3-13(4-6-17)18-9-14(16-10-21-22-11-16)1-2-15(18)12-23-8-7-20/h1-6,9-11H,7-8,12,20H2,(H,21,22)
InChIKeyBAJPTVMOMHOWGB-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.87
Rot. Bonds6

About 2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine

2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine (PubChem CID 71149486) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine
PubChem CID71149486
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine
SMILESNCCOCc1ccc(-c2cn[nH]c2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O/c19-17-5-3-13(4-6-17)18-9-14(16-10-21-22-11-16)1-2-15(18)12-23-8-7-20/h1-6,9-11H,7-8,12,20H2,(H,21,22)
InChIKeyBAJPTVMOMHOWGB-UHFFFAOYSA-N
XLogP3.87
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-chlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 69129226
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
6-(3-aminopropyl)-4-(4-chlorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one
CID 15982749
4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
CID 118191758
3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 11990842
O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine
CID 145474090
4-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 118018809
1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 151696156
4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
CID 168867710
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 11197714
4-[4-chloro-2-(1H-pyrazol-4-yl)phenyl]-2-methylidenebutanenitrile
CID 178146697

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine?
The IUPAC name of 2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine (CID 71149486) is 2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine is NCCOCc1ccc(-c2cn[nH]c2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine?
The InChIKey is BAJPTVMOMHOWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-17-5-3-13(4-6-17)18-9-14(16-10-21-22-11-16)1-2-15(18)12-23-8-7-20/h1-6,9-11H,7-8,12,20H2,(H,21,22).
What are the key properties of 2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine?
2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine has a molecular weight of 327.82 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)phenyl]methoxy]ethanamine is sourced from PubChem (CID 71149486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).