2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol

C17H23ClN4O — CID 98589178

IUPAC2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cn[nH]c2-c2ccc(Cl)cc2)C[C@H]1CCO
InChIInChI=1S/C17H23ClN4O/c1-21-7-8-22(12-16(21)6-9-23)11-14-10-19-20-17(14)13-2-4-15(18)5-3-13/h2-5,10,16,23H,6-9,11-12H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyTUEFUBNDDOJIAW-MRXNPFEDSA-N
MW334.85 g/mol
LogP2.23
Rot. Bonds5

About 2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol

2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 98589178) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID98589178
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cn[nH]c2-c2ccc(Cl)cc2)C[C@H]1CCO
InChIInChI=1S/C17H23ClN4O/c1-21-7-8-22(12-16(21)6-9-23)11-14-10-19-20-17(14)13-2-4-15(18)5-3-13/h2-5,10,16,23H,6-9,11-12H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyTUEFUBNDDOJIAW-MRXNPFEDSA-N
XLogP2.23
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-cyclopentyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28810241
2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 30673490
2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51635379
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CID 110882554
ethyl (3R)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41244131
2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28735204
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
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CID 92770253
1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 156604336
2-[(2R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 98576071
1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 3950108
1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol (CID 98589178) is 2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol is CN1CCN(Cc2cn[nH]c2-c2ccc(Cl)cc2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is TUEFUBNDDOJIAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-21-7-8-22(12-16(21)6-9-23)11-14-10-19-20-17(14)13-2-4-15(18)5-3-13/h2-5,10,16,23H,6-9,11-12H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of 2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 334.85 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 98589178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).