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

C10H19N3O2 — CID 60981461

IUPAC2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
SMILESCCN(CCO)c1c(CO)c(C)nn1C
InChIInChI=1S/C10H19N3O2/c1-4-13(5-6-14)10-9(7-15)8(2)11-12(10)3/h14-15H,4-7H2,1-3H3
InChIKeyCRDXJPVPTBIAAI-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.04
Rot. Bonds5

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

2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol (PubChem CID 60981461) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
PubChem CID60981461
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
SMILESCCN(CCO)c1c(CO)c(C)nn1C
InChIInChI=1S/C10H19N3O2/c1-4-13(5-6-14)10-9(7-15)8(2)11-12(10)3/h14-15H,4-7H2,1-3H3
InChIKeyCRDXJPVPTBIAAI-UHFFFAOYSA-N
XLogP0.04
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol?
The IUPAC name of 2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol (CID 60981461) is 2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol is CCN(CCO)c1c(CO)c(C)nn1C.
What is the InChIKey of 2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol?
The InChIKey is CRDXJPVPTBIAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-13(5-6-14)10-9(7-15)8(2)11-12(10)3/h14-15H,4-7H2,1-3H3.
What are the key properties of 2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol?
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol has a molecular weight of 213.28 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol is sourced from PubChem (CID 60981461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).