(2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol

C17H23ClN4O — CID 97226783

IUPAC(2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESCn1cc(CN2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C17H23ClN4O/c1-20-11-14(10-19-20)12-21-5-7-22(8-6-21)17(13-23)15-3-2-4-16(18)9-15/h2-4,9-11,17,23H,5-8,12-13H2,1H3/t17-/m0/s1
InChIKeyBFOWBLIKJBANEY-KRWDZBQOSA-N
MW334.85 g/mol
LogP1.92
Rot. Bonds5

About (2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol

(2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 97226783) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
PubChem CID97226783
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name(2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESCn1cc(CN2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C17H23ClN4O/c1-20-11-14(10-19-20)12-21-5-7-22(8-6-21)17(13-23)15-3-2-4-16(18)9-15/h2-4,9-11,17,23H,5-8,12-13H2,1H3/t17-/m0/s1
InChIKeyBFOWBLIKJBANEY-KRWDZBQOSA-N
XLogP1.92
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol
CID 97226785
(2S)-2-(3-chlorophenyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-2-morpholin-4-ylethanamine
CID 97066602
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
(2,4-dichlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331489
4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole
CID 66050323
(4-chlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331488
(1S)-1-(3-chlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 92764459
1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine
CID 82089462
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650040
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 129365376
2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79438146
(2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 95309346

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of (2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol (CID 97226783) is (2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol is Cn1cc(CN2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is BFOWBLIKJBANEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-20-11-14(10-19-20)12-21-5-7-22(8-6-21)17(13-23)15-3-2-4-16(18)9-15/h2-4,9-11,17,23H,5-8,12-13H2,1H3/t17-/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
(2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 334.85 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 97226783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).