2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol

C12H21N3O — CID 122166396

IUPAC2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol
SMILESCc1nn(C2CCCC2)cc1CNCCO
InChIInChI=1S/C12H21N3O/c1-10-11(8-13-6-7-16)9-15(14-10)12-4-2-3-5-12/h9,12-13,16H,2-8H2,1H3
InChIKeyXOQVSVZMYKMSOR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.39
Rot. Bonds5

About 2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol

2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol (PubChem CID 122166396) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol
PubChem CID122166396
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol
SMILESCc1nn(C2CCCC2)cc1CNCCO
InChIInChI=1S/C12H21N3O/c1-10-11(8-13-6-7-16)9-15(14-10)12-4-2-3-5-12/h9,12-13,16H,2-8H2,1H3
InChIKeyXOQVSVZMYKMSOR-UHFFFAOYSA-N
XLogP1.39
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.39
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-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol (CID 122166396) is 2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol is Cc1nn(C2CCCC2)cc1CNCCO.
What is the InChIKey of 2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is XOQVSVZMYKMSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-11(8-13-6-7-16)9-15(14-10)12-4-2-3-5-12/h9,12-13,16H,2-8H2,1H3.
What are the key properties of 2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol?
2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 122166396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).