2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol

C21H32N4O — CID 45227496

IUPAC2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCCn1cc(CN2CCN(Cc3ccccc3C)C(CCO)C2)c(C)n1
InChIInChI=1S/C21H32N4O/c1-4-25-15-20(18(3)22-25)13-23-10-11-24(21(16-23)9-12-26)14-19-8-6-5-7-17(19)2/h5-8,15,21,26H,4,9-14,16H2,1-3H3
InChIKeySUNFDWOLEZAEIP-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.59
Rot. Bonds7

About 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45227496) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45227496
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCCn1cc(CN2CCN(Cc3ccccc3C)C(CCO)C2)c(C)n1
InChIInChI=1S/C21H32N4O/c1-4-25-15-20(18(3)22-25)13-23-10-11-24(21(16-23)9-12-26)14-19-8-6-5-7-17(19)2/h5-8,15,21,26H,4,9-14,16H2,1-3H3
InChIKeySUNFDWOLEZAEIP-UHFFFAOYSA-N
XLogP2.59
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[(4-ethoxyphenyl)methyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 51723874
2-[1-[(2-methylphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 45245970
2-[4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45208361
2-[1-[(2-methylphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-2-yl]ethanol
CID 45250534
2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
CID 30673653
2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol
CID 98586577
2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 51633723
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45240182
2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51635489
4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 45239967
2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 30673490
2-[(2S)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28731718

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 45227496) is 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is CCn1cc(CN2CCN(Cc3ccccc3C)C(CCO)C2)c(C)n1.
What is the InChIKey of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is SUNFDWOLEZAEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-4-25-15-20(18(3)22-25)13-23-10-11-24(21(16-23)9-12-26)14-19-8-6-5-7-17(19)2/h5-8,15,21,26H,4,9-14,16H2,1-3H3.
What are the key properties of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 356.51 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45227496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).