2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol

C9H17N3O — CID 122165994

IUPAC2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol
SMILESCC(C)n1nccc1CNCCO
InChIInChI=1S/C9H17N3O/c1-8(2)12-9(3-4-11-12)7-10-5-6-13/h3-4,8,10,13H,5-7H2,1-2H3
InChIKeyNYAHRZIHQDMDLF-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.55
Rot. Bonds5

About 2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol

2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol (PubChem CID 122165994) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol
PubChem CID122165994
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol
SMILESCC(C)n1nccc1CNCCO
InChIInChI=1S/C9H17N3O/c1-8(2)12-9(3-4-11-12)7-10-5-6-13/h3-4,8,10,13H,5-7H2,1-2H3
InChIKeyNYAHRZIHQDMDLF-UHFFFAOYSA-N
XLogP0.55
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.55
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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Related Compounds

N-[(2-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine;hydrochloride
CID 126967489
4-[(2-propan-2-ylpyrazol-3-yl)methylamino]butanoic acid
CID 170356656
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126964707
3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 122166014
3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride
CID 126967833
1-(1-methylpyrrol-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965371
N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
CID 122168246
N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126967579
2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122167078
2-(2-propan-2-ylpyrazol-3-yl)acetaldehyde
CID 83872578
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126968269

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol?
The IUPAC name of 2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol (CID 122165994) is 2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol?
The canonical SMILES for 2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol is CC(C)n1nccc1CNCCO.
What is the InChIKey of 2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol?
The InChIKey is NYAHRZIHQDMDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)12-9(3-4-11-12)7-10-5-6-13/h3-4,8,10,13H,5-7H2,1-2H3.
What are the key properties of 2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol?
2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 122165994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).