2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol

C12H24N4O2 — CID 113467892

IUPAC2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol
SMILESCNCc1c(C)nn(C)c1N(CCO)CCOC
InChIInChI=1S/C12H24N4O2/c1-10-11(9-13-2)12(15(3)14-10)16(5-7-17)6-8-18-4/h13,17H,5-9H2,1-4H3
InChIKeyMXSOIBBVBYAFJV-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.11
Rot. Bonds8

About 2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol

2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol (PubChem CID 113467892) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol
PubChem CID113467892
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol
SMILESCNCc1c(C)nn(C)c1N(CCO)CCOC
InChIInChI=1S/C12H24N4O2/c1-10-11(9-13-2)12(15(3)14-10)16(5-7-17)6-8-18-4/h13,17H,5-9H2,1-4H3
InChIKeyMXSOIBBVBYAFJV-UHFFFAOYSA-N
XLogP-0.11
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol (CID 113467892) is 2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol is CNCc1c(C)nn(C)c1N(CCO)CCOC.
What is the InChIKey of 2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol?
The InChIKey is MXSOIBBVBYAFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-10-11(9-13-2)12(15(3)14-10)16(5-7-17)6-8-18-4/h13,17H,5-9H2,1-4H3.
What are the key properties of 2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol?
2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol has a molecular weight of 256.35 g/mol, XLogP of -0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 113467892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).