2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol

C23H28N4O2 — CID 46809748

IUPAC2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-29-22-9-7-19(8-10-22)23-20(17-26-13-11-25(12-14-26)15-16-28)18-27(24-23)21-5-3-2-4-6-21/h2-10,18,28H,11-17H2,1H3
InChIKeyINIFWBFXWSGSEA-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.66
Rot. Bonds7

About 2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 46809748) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
PubChem CID46809748
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-29-22-9-7-19(8-10-22)23-20(17-26-13-11-25(12-14-26)15-16-28)18-27(24-23)21-5-3-2-4-6-21/h2-10,18,28H,11-17H2,1H3
InChIKeyINIFWBFXWSGSEA-UHFFFAOYSA-N
XLogP2.66
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide
CID 78818674
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773905
1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 45248945
1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608
[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 7245329
1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-5-nitropyridin-2-one
CID 38896129
1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 16576279
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol (CID 46809748) is 2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol is COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is INIFWBFXWSGSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-29-22-9-7-19(8-10-22)23-20(17-26-13-11-25(12-14-26)15-16-28)18-27(24-23)21-5-3-2-4-6-21/h2-10,18,28H,11-17H2,1H3.
What are the key properties of 2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 392.50 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 46809748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).