prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol

C7H10N2O2 — CID 158434279

IUPACprop-2-yn-1-ol;1H-pyrazol-5-ylmethanol
SMILESC#CCO.OCc1ccn[nH]1
InChIInChI=1S/C4H6N2O.C3H4O/c7-3-4-1-2-5-6-4;1-2-3-4/h1-2,7H,3H2,(H,5,6);1,4H,3H2
InChIKeyHCAOAESEYVFUQK-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.49
Rot. Bonds1

About prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol

prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol (PubChem CID 158434279) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol.

Molecular Properties

Compound Nameprop-2-yn-1-ol;1H-pyrazol-5-ylmethanol
PubChem CID158434279
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameprop-2-yn-1-ol;1H-pyrazol-5-ylmethanol
SMILESC#CCO.OCc1ccn[nH]1
InChIInChI=1S/C4H6N2O.C3H4O/c7-3-4-1-2-5-6-4;1-2-3-4/h1-2,7H,3H2,(H,5,6);1,4H,3H2
InChIKeyHCAOAESEYVFUQK-UHFFFAOYSA-N
XLogP-0.49
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol?
The IUPAC name of prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol (CID 158434279) is prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol.
What is the SMILES notation for prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol?
The canonical SMILES for prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol is C#CCO.OCc1ccn[nH]1.
What is the InChIKey of prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol?
The InChIKey is HCAOAESEYVFUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.C3H4O/c7-3-4-1-2-5-6-4;1-2-3-4/h1-2,7H,3H2,(H,5,6);1,4H,3H2.
What are the key properties of prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol?
prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol has a molecular weight of 154.17 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol is sourced from PubChem (CID 158434279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).