1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine

C23H28N4O2 — CID 54096739

IUPAC1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCOc2ccccc2-c2ccn[nH]2)CC1
InChIInChI=1S/C23H28N4O2/c1-28-23-10-5-3-8-21(23)27-16-14-26(15-17-27)13-6-18-29-22-9-4-2-7-19(22)20-11-12-24-25-20/h2-5,7-12H,6,13-18H2,1H3,(H,24,25)
InChIKeyMXQDUXKPOPPOIO-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.68
Rot. Bonds8

About 1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine

1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine (PubChem CID 54096739) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine
PubChem CID54096739
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCOc2ccccc2-c2ccn[nH]2)CC1
InChIInChI=1S/C23H28N4O2/c1-28-23-10-5-3-8-21(23)27-16-14-26(15-17-27)13-6-18-29-22-9-4-2-7-19(22)20-11-12-24-25-20/h2-5,7-12H,6,13-18H2,1H3,(H,24,25)
InChIKeyMXQDUXKPOPPOIO-UHFFFAOYSA-N
XLogP3.68
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.68
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

1-(4-methoxyphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486657
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)urea
CID 45486658
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486672
1-(4-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486713
1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-methoxyphenyl)piperazine
CID 2812421
1-(2-ethoxyphenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812423
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
N-{2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}acetamide
CID 25093237
ethyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate
CID 10132265
1-(2-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 11517754
dimethyl-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-pyridinyl}phenyl)oxy]ethyl}amine
CID 11682470
1-(2-fluoro-5-methylphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486726

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine (CID 54096739) is 1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine is COc1ccccc1N1CCN(CCCOc2ccccc2-c2ccn[nH]2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine?
The InChIKey is MXQDUXKPOPPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-28-23-10-5-3-8-21(23)27-16-14-26(15-17-27)13-6-18-29-22-9-4-2-7-19(22)20-11-12-24-25-20/h2-5,7-12H,6,13-18H2,1H3,(H,24,25).
What are the key properties of 1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine?
1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine has a molecular weight of 392.50 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine is sourced from PubChem (CID 54096739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).