3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol

C7H8N2O — CID 169484630

IUPAC3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol
SMILESCc1[nH]ncc1C#CCO
InChIInChI=1S/C7H8N2O/c1-6-7(3-2-4-10)5-8-9-6/h5,10H,4H2,1H3,(H,8,9)
InChIKeyYJEHHOPFTJJKAI-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.06
Rot. Bonds

About 3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol

3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol (PubChem CID 169484630) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol
PubChem CID169484630
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol
SMILESCc1[nH]ncc1C#CCO
InChIInChI=1S/C7H8N2O/c1-6-7(3-2-4-10)5-8-9-6/h5,10H,4H2,1H3,(H,8,9)
InChIKeyYJEHHOPFTJJKAI-UHFFFAOYSA-N
XLogP0.06
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol (CID 169484630) is 3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol is Cc1[nH]ncc1C#CCO.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol?
The InChIKey is YJEHHOPFTJJKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-6-7(3-2-4-10)5-8-9-6/h5,10H,4H2,1H3,(H,8,9).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol?
3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol has a molecular weight of 136.15 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol is sourced from PubChem (CID 169484630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).