2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol

C17H33N5O — CID 47614737

IUPAC2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C17H33N5O/c1-14-16(15(2)22(19-14)10-11-23)12-18-13-17(3,4)21-8-6-20(5)7-9-21/h18,23H,6-13H2,1-5H3
InChIKeyQPELPCZGXKVTSS-UHFFFAOYSA-N
MW323.49 g/mol
LogP0.61
Rot. Bonds7

About 2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 47614737) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol
PubChem CID47614737
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC Name2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C17H33N5O/c1-14-16(15(2)22(19-14)10-11-23)12-18-13-17(3,4)21-8-6-20(5)7-9-21/h18,23H,6-13H2,1-5H3
InChIKeyQPELPCZGXKVTSS-UHFFFAOYSA-N
XLogP0.61
TPSA56.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol (CID 47614737) is 2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is QPELPCZGXKVTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O/c1-14-16(15(2)22(19-14)10-11-23)12-18-13-17(3,4)21-8-6-20(5)7-9-21/h18,23H,6-13H2,1-5H3.
What are the key properties of 2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 323.49 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 47614737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).