3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol

C7H8N2O — CID 63961781

IUPAC3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol
SMILESCn1nccc1C#CCO
InChIInChI=1S/C7H8N2O/c1-9-7(3-2-6-10)4-5-8-9/h4-5,10H,6H2,1H3
InChIKeyCKHLIBWPTKMGET-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.24
Rot. Bonds

About 3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol

3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol (PubChem CID 63961781) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol
PubChem CID63961781
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol
SMILESCn1nccc1C#CCO
InChIInChI=1S/C7H8N2O/c1-9-7(3-2-6-10)4-5-8-9/h4-5,10H,6H2,1H3
InChIKeyCKHLIBWPTKMGET-UHFFFAOYSA-N
XLogP-0.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
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 3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol (CID 63961781) is 3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol is Cn1nccc1C#CCO.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol?
The InChIKey is CKHLIBWPTKMGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-9-7(3-2-6-10)4-5-8-9/h4-5,10H,6H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol?
3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol has a molecular weight of 136.15 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol is sourced from PubChem (CID 63961781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).