2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole

C19H22N2O2 — CID 166852187

IUPAC2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole
SMILESCOc1ccc(COc2ccc(CCN3CCC=N3)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-22-18-7-5-17(6-8-18)15-23-19-9-3-16(4-10-19)11-14-21-13-2-12-20-21/h3-10,12H,2,11,13-15H2,1H3
InChIKeyJDNZLLGBNJHSPT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.51
Rot. Bonds7

About 2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole

2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole (PubChem CID 166852187) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole
PubChem CID166852187
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole
SMILESCOc1ccc(COc2ccc(CCN3CCC=N3)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-22-18-7-5-17(6-8-18)15-23-19-9-3-16(4-10-19)11-14-21-13-2-12-20-21/h3-10,12H,2,11,13-15H2,1H3
InChIKeyJDNZLLGBNJHSPT-UHFFFAOYSA-N
XLogP3.51
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-phenoxy-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 16747689
N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-(p-tolyloxy)propan-1-amine
CID 24947378
N-[4-(benzyloxy)benzylidene]-4-methyl-1-piperazinamine
CID 6873986
(E)-N-(2,6-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)methanimine
CID 9608115
4-benzyl-N-(4-ethoxybenzylidene)-1-piperazinamine
CID 5342850
N,N-dimethyl-O-benzyl-tyramine
CID 11521708
3-{5-[4-(4-Methoxy-benzyloxy)-phenyl]-2-thioxo-[1,3,4]oxadiazol-3-yl}-propionitrile
CID 14953524
1-[2-Benzyloxy-2-(4-methoxyphenyl)ethyl]-1-methylhydrazine
CID 46929950
1-[5-(4-methoxyphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22576951
(5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102034873
3-Octyl-5-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-thione
CID 46225866
3-Benzyl-5-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-thione
CID 46225897

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole?
The IUPAC name of 2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole (CID 166852187) is 2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole.
What is the SMILES notation for 2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole?
The canonical SMILES for 2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole is COc1ccc(COc2ccc(CCN3CCC=N3)cc2)cc1.
What is the InChIKey of 2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole?
The InChIKey is JDNZLLGBNJHSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-22-18-7-5-17(6-8-18)15-23-19-9-3-16(4-10-19)11-14-21-13-2-12-20-21/h3-10,12H,2,11,13-15H2,1H3.
What are the key properties of 2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole?
2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole has a molecular weight of 310.40 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole is sourced from PubChem (CID 166852187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).