2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol

C7H13N3O — CID 115630410

IUPAC2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol
SMILESCc1cc(CNCCO)n[nH]1
InChIInChI=1S/C7H13N3O/c1-6-4-7(10-9-6)5-8-2-3-11/h4,8,11H,2-3,5H2,1H3,(H,9,10)
InChIKeyYEWUDFMZIMVUDB-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.20
Rot. Bonds4

About 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol

2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol (PubChem CID 115630410) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol
PubChem CID115630410
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol
SMILESCc1cc(CNCCO)n[nH]1
InChIInChI=1S/C7H13N3O/c1-6-4-7(10-9-6)5-8-2-3-11/h4,8,11H,2-3,5H2,1H3,(H,9,10)
InChIKeyYEWUDFMZIMVUDB-UHFFFAOYSA-N
XLogP-0.20
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol (CID 115630410) is 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol is Cc1cc(CNCCO)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol?
The InChIKey is YEWUDFMZIMVUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6-4-7(10-9-6)5-8-2-3-11/h4,8,11H,2-3,5H2,1H3,(H,9,10).
What are the key properties of 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol?
2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol has a molecular weight of 155.20 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 115630410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).