2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol

C20H29ClN4O2 — CID 45185441

IUPAC2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(Cc3c(C)nn(C)c3Cl)CC2CCO)c1
InChIInChI=1S/C20H29ClN4O2/c1-15-19(20(21)23(2)22-15)14-24-8-9-25(17(13-24)7-10-26)12-16-5-4-6-18(11-16)27-3/h4-6,11,17,26H,7-10,12-14H2,1-3H3
InChIKeyVAPQUJSVGVYLDF-UHFFFAOYSA-N
MW392.93 g/mol
LogP2.46
Rot. Bonds7

About 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45185441) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45185441
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(Cc3c(C)nn(C)c3Cl)CC2CCO)c1
InChIInChI=1S/C20H29ClN4O2/c1-15-19(20(21)23(2)22-15)14-24-8-9-25(17(13-24)7-10-26)12-16-5-4-6-18(11-16)27-3/h4-6,11,17,26H,7-10,12-14H2,1-3H3
InChIKeyVAPQUJSVGVYLDF-UHFFFAOYSA-N
XLogP2.46
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[(2S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 28739424
2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51908768
4-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethylphenol
CID 29021868
2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 51902765
2-[(2R)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51902403
2-[(2S)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29151767
methyl 4-[[(3R)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 98566048
methyl 4-[[3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 45180164
4-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-methoxyphenol
CID 29208692
2-[4-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45195244
2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 51903545
2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 30675412

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 45185441) is 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol is COc1cccc(CN2CCN(Cc3c(C)nn(C)c3Cl)CC2CCO)c1.
What is the InChIKey of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is VAPQUJSVGVYLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c1-15-19(20(21)23(2)22-15)14-24-8-9-25(17(13-24)7-10-26)12-16-5-4-6-18(11-16)27-3/h4-6,11,17,26H,7-10,12-14H2,1-3H3.
What are the key properties of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 392.93 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45185441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).