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

C21H32N4O — CID 46956906

IUPAC1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESCCn1cc(CN2CCN(CC(O)c3ccc(C)cc3C)CC2)c(C)n1
InChIInChI=1S/C21H32N4O/c1-5-25-14-19(18(4)22-25)13-23-8-10-24(11-9-23)15-21(26)20-7-6-16(2)12-17(20)3/h6-7,12,14,21,26H,5,8-11,13,15H2,1-4H3
InChIKeyYKRWQQKQCJTCEY-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.68
Rot. Bonds6

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

1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 46956906) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
PubChem CID46956906
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESCCn1cc(CN2CCN(CC(O)c3ccc(C)cc3C)CC2)c(C)n1
InChIInChI=1S/C21H32N4O/c1-5-25-14-19(18(4)22-25)13-23-8-10-24(11-9-23)15-21(26)20-7-6-16(2)12-17(20)3/h6-7,12,14,21,26H,5,8-11,13,15H2,1-4H3
InChIKeyYKRWQQKQCJTCEY-UHFFFAOYSA-N
XLogP2.68
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(hydroxymethyl)-2-(1-methylpyrazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 89979353
9-(hydroxymethyl)-2-(1-methylpyrazol-3-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 89980357
[3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 976857
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3511640
(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol
CID 87053365
1-(2,4-Dimethylphenyl)-2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 46956904
1-(2,5-Dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 46956907
1-(3,4-Dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 48076344
1-(3-Fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
CID 51104368
2-[4-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol
CID 56780672
1-(3,4-Dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56780909
(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenyl-3-(1-pyrrolidinyl)hexahydro-4-pyridinol
CID 87053364

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol (CID 46956906) is 1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol is CCn1cc(CN2CCN(CC(O)c3ccc(C)cc3C)CC2)c(C)n1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is YKRWQQKQCJTCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-5-25-14-19(18(4)22-25)13-23-8-10-24(11-9-23)15-21(26)20-7-6-16(2)12-17(20)3/h6-7,12,14,21,26H,5,8-11,13,15H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 356.51 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 46956906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).