2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol

C9H17N3O — CID 122166019

IUPAC2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol
SMILESCCn1ncc(C)c1CNCCO
InChIInChI=1S/C9H17N3O/c1-3-12-9(7-10-4-5-13)8(2)6-11-12/h6,10,13H,3-5,7H2,1-2H3
InChIKeyDOGSFGSGPQGQEK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.29
Rot. Bonds5

About 2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol

2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol (PubChem CID 122166019) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol
PubChem CID122166019
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol
SMILESCCn1ncc(C)c1CNCCO
InChIInChI=1S/C9H17N3O/c1-3-12-9(7-10-4-5-13)8(2)6-11-12/h6,10,13H,3-5,7H2,1-2H3
InChIKeyDOGSFGSGPQGQEK-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
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

((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7175814
2-[3,5-Dimethyl-4-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 53616949
(2-methoxyethyl)[(1-methyl-1H-pyrazol-5-yl)methyl]amine
CID 43663120
2-[4-(aminomethyl)-3-methyl-1H-pyrazol-1-yl]ethan-1-ol hydrochloride
CID 137951156
2-(4,5-Dimethylpyrazol-1-yl)ethanol
CID 58514590
N-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 46986896
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine
CID 119051602
(2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol
CID 164634234
2-[4-Methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514586
2-[4-Methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514749
N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine
CID 67149595
2-[4-(Aminomethyl)-3-methyl-1H-pyrazol-1-YL]ethan-1-OL
CID 82651857

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol?
The IUPAC name of 2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol (CID 122166019) is 2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol?
The canonical SMILES for 2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol is CCn1ncc(C)c1CNCCO.
What is the InChIKey of 2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol?
The InChIKey is DOGSFGSGPQGQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-12-9(7-10-4-5-13)8(2)6-11-12/h6,10,13H,3-5,7H2,1-2H3.
What are the key properties of 2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol?
2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 122166019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).