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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Related Compounds

N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine
CID 54999803
1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine
CID 107870543
4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine
CID 63058730
2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 102864919
5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 113467795
2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide
CID 62922627
3-[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285169
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 60981461
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methoxyethyl)amino]ethanol
CID 113467651
2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 61447056
2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 107481446
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60960906

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).