2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

C22H34N4O — CID 51905360

IUPAC2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCCn1nc(C)c(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)c1C
InChIInChI=1S/C22H34N4O/c1-5-26-19(4)22(18(3)23-26)16-24-11-12-25(21(15-24)10-13-27)14-20-8-6-17(2)7-9-20/h6-9,21,27H,5,10-16H2,1-4H3/t21-/m1/s1
InChIKeyLZCXUZZHMBUFBX-OAQYLSRUSA-N
MW370.54 g/mol
LogP2.90
Rot. Bonds7

About 2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 51905360) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID51905360
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCCn1nc(C)c(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)c1C
InChIInChI=1S/C22H34N4O/c1-5-26-19(4)22(18(3)23-26)16-24-11-12-25(21(15-24)10-13-27)14-20-8-6-17(2)7-9-20/h6-9,21,27H,5,10-16H2,1-4H3/t21-/m1/s1
InChIKeyLZCXUZZHMBUFBX-OAQYLSRUSA-N
XLogP2.90
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45198634
2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-methoxyphenol
CID 29087860
2-[(2R)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 98566789
2-[(2S)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28730365
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 51723874
1-[3-[[(3R)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 93233365
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 91660548
2-[[(3R)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-5-methoxyphenol
CID 98573625
2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 23723439
2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51901627
2-[(2S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 28739424
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45185441

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 51905360) is 2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is CCn1nc(C)c(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)c1C.
What is the InChIKey of 2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is LZCXUZZHMBUFBX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H34N4O/c1-5-26-19(4)22(18(3)23-26)16-24-11-12-25(21(15-24)10-13-27)14-20-8-6-17(2)7-9-20/h6-9,21,27H,5,10-16H2,1-4H3/t21-/m1/s1.
What are the key properties of 2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 370.54 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 51905360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).