2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride

C12H22ClN3O — CID 126966695

IUPAC2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride
SMILESCC(C)n1nc(C2CC2)cc1CNCCO.Cl
InChIInChI=1S/C12H21N3O.ClH/c1-9(2)15-11(8-13-5-6-16)7-12(14-15)10-3-4-10;/h7,9-10,13,16H,3-6,8H2,1-2H3;1H
InChIKeyABAXAMFIEORJRG-UHFFFAOYSA-N
MW259.78 g/mol
LogP1.85
Rot. Bonds6

About 2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride

2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride (PubChem CID 126966695) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride
PubChem CID126966695
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC Name2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride
SMILESCC(C)n1nc(C2CC2)cc1CNCCO.Cl
InChIInChI=1S/C12H21N3O.ClH/c1-9(2)15-11(8-13-5-6-16)7-12(14-15)10-3-4-10;/h7,9-10,13,16H,3-6,8H2,1-2H3;1H
InChIKeyABAXAMFIEORJRG-UHFFFAOYSA-N
XLogP1.85
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride (CID 126966695) is 2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride is CC(C)n1nc(C2CC2)cc1CNCCO.Cl.
What is the InChIKey of 2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride?
The InChIKey is ABAXAMFIEORJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.ClH/c1-9(2)15-11(8-13-5-6-16)7-12(14-15)10-3-4-10;/h7,9-10,13,16H,3-6,8H2,1-2H3;1H.
What are the key properties of 2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride?
2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride is sourced from PubChem (CID 126966695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).