2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol

C11H22N4O — CID 60960906

IUPAC2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
SMILESCCNCc1c(C)nn(C)c1N(C)CCO
InChIInChI=1S/C11H22N4O/c1-5-12-8-10-9(2)13-15(4)11(10)14(3)6-7-16/h12,16H,5-8H2,1-4H3
InChIKeyGVNALQDFUIOBIT-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.27
Rot. Bonds6

About 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol

2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol (PubChem CID 60960906) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
PubChem CID60960906
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
SMILESCCNCc1c(C)nn(C)c1N(C)CCO
InChIInChI=1S/C11H22N4O/c1-5-12-8-10-9(2)13-15(4)11(10)14(3)6-7-16/h12,16H,5-8H2,1-4H3
InChIKeyGVNALQDFUIOBIT-UHFFFAOYSA-N
XLogP0.27
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
CID 79850033
N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
CID 61452073
N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280698
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine
CID 63236600
2-[cyclopropyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 54994821
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
CID 63837144
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol
CID 43554229
4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol
CID 114950649
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine
CID 43296903
N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
CID 61416689
N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43569435

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol?
The IUPAC name of 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol (CID 60960906) is 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol is CCNCc1c(C)nn(C)c1N(C)CCO.
What is the InChIKey of 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol?
The InChIKey is GVNALQDFUIOBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-12-8-10-9(2)13-15(4)11(10)14(3)6-7-16/h12,16H,5-8H2,1-4H3.
What are the key properties of 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol?
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol has a molecular weight of 226.32 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol is sourced from PubChem (CID 60960906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).