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

C9H17N3O — CID 165469366

IUPAC2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol
SMILESCc1cn(C)nc1CN(C)CCO
InChIInChI=1S/C9H17N3O/c1-8-6-12(3)10-9(8)7-11(2)4-5-13/h6,13H,4-5,7H2,1-3H3
InChIKeyKCCUWZWLFPCMLC-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.15
Rot. Bonds4

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

2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol (PubChem CID 165469366) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol
PubChem CID165469366
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol
SMILESCc1cn(C)nc1CN(C)CCO
InChIInChI=1S/C9H17N3O/c1-8-6-12(3)10-9(8)7-11(2)4-5-13/h6,13H,4-5,7H2,1-3H3
InChIKeyKCCUWZWLFPCMLC-UHFFFAOYSA-N
XLogP0.15
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol (CID 165469366) is 2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol is Cc1cn(C)nc1CN(C)CCO.
What is the InChIKey of 2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol?
The InChIKey is KCCUWZWLFPCMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8-6-12(3)10-9(8)7-11(2)4-5-13/h6,13H,4-5,7H2,1-3H3.
What are the key properties of 2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol?
2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol is sourced from PubChem (CID 165469366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).