2-[(2-methylpyrazol-3-yl)methoxy]ethanol

C7H12N2O2 — CID 164538456

IUPAC2-[(2-methylpyrazol-3-yl)methoxy]ethanol
SMILESCn1nccc1COCCO
InChIInChI=1S/C7H12N2O2/c1-9-7(2-3-8-9)6-11-5-4-10/h2-3,10H,4-6H2,1H3
InChIKeyOMVKAZUERIFMEQ-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.07
Rot. Bonds4

About 2-[(2-methylpyrazol-3-yl)methoxy]ethanol

2-[(2-methylpyrazol-3-yl)methoxy]ethanol (PubChem CID 164538456) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methoxy]ethanol
PubChem CID164538456
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-[(2-methylpyrazol-3-yl)methoxy]ethanol
SMILESCn1nccc1COCCO
InChIInChI=1S/C7H12N2O2/c1-9-7(2-3-8-9)6-11-5-4-10/h2-3,10H,4-6H2,1H3
InChIKeyOMVKAZUERIFMEQ-UHFFFAOYSA-N
XLogP-0.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
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-[(2-methylpyrazol-3-yl)methoxy]ethanol?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methoxy]ethanol (CID 164538456) is 2-[(2-methylpyrazol-3-yl)methoxy]ethanol.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methoxy]ethanol?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methoxy]ethanol is Cn1nccc1COCCO.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methoxy]ethanol?
The InChIKey is OMVKAZUERIFMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-9-7(2-3-8-9)6-11-5-4-10/h2-3,10H,4-6H2,1H3.
What are the key properties of 2-[(2-methylpyrazol-3-yl)methoxy]ethanol?
2-[(2-methylpyrazol-3-yl)methoxy]ethanol has a molecular weight of 156.18 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methoxy]ethanol is sourced from PubChem (CID 164538456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).