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

C9H17N3O2 — CID 60961185

IUPAC2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
SMILESCc1nn(C)c(N(C)CCO)c1CO
InChIInChI=1S/C9H17N3O2/c1-7-8(6-14)9(12(3)10-7)11(2)4-5-13/h13-14H,4-6H2,1-3H3
InChIKeyLNSWSGSJJPIMGX-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.35
Rot. Bonds4

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

2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol (PubChem CID 60961185) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
PubChem CID60961185
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
SMILESCc1nn(C)c(N(C)CCO)c1CO
InChIInChI=1S/C9H17N3O2/c1-7-8(6-14)9(12(3)10-7)11(2)4-5-13/h13-14H,4-6H2,1-3H3
InChIKeyLNSWSGSJJPIMGX-UHFFFAOYSA-N
XLogP-0.35
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol?
The IUPAC name of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol (CID 60961185) is 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol is Cc1nn(C)c(N(C)CCO)c1CO.
What is the InChIKey of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol?
The InChIKey is LNSWSGSJJPIMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7-8(6-14)9(12(3)10-7)11(2)4-5-13/h13-14H,4-6H2,1-3H3.
What are the key properties of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol?
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol has a molecular weight of 199.25 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol is sourced from PubChem (CID 60961185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).