2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol

C20H38N4O — CID 45193539

IUPAC2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
SMILESCc1nn(C(C)C)c(C)c1CN1CCN(CC(C)(C)C)C(CCO)C1
InChIInChI=1S/C20H38N4O/c1-15(2)24-17(4)19(16(3)21-24)13-22-9-10-23(14-20(5,6)7)18(12-22)8-11-25/h15,18,25H,8-14H2,1-7H3
InChIKeyFJRHLBMJZMWFHT-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.00
Rot. Bonds6

About 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol

2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol (PubChem CID 45193539) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
PubChem CID45193539
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
SMILESCc1nn(C(C)C)c(C)c1CN1CCN(CC(C)(C)C)C(CCO)C1
InChIInChI=1S/C20H38N4O/c1-15(2)24-17(4)19(16(3)21-24)13-22-9-10-23(14-20(5,6)7)18(12-22)8-11-25/h15,18,25H,8-14H2,1-7H3
InChIKeyFJRHLBMJZMWFHT-UHFFFAOYSA-N
XLogP3.00
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

1-Methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol
CID 56728243
1-Methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56728245
1-Ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56730044
2-[3,5-Dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
CID 99841375
2-{[(e)-(1-Isopropyl-3,5-dimethyl-1h-pyrazol-4-yl)methylidene]amino}butan-1-ol
CID 134612881
2-[4-[[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 109930315
3-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 109932010
1-[1-[(3,5-Dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109935822
1-[1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109935854
2-[4-[[4-(2,2-Difluoroethyl)-3-ethylpiperazin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 109935923
2-[3,5-Dimethyl-4-[[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 109936315
2-[3,5-Dimethyl-4-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 109939427

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol (CID 45193539) is 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol is Cc1nn(C(C)C)c(C)c1CN1CCN(CC(C)(C)C)C(CCO)C1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
The InChIKey is FJRHLBMJZMWFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-15(2)24-17(4)19(16(3)21-24)13-22-9-10-23(14-20(5,6)7)18(12-22)8-11-25/h15,18,25H,8-14H2,1-7H3.
What are the key properties of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol has a molecular weight of 350.55 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45193539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).