1-ethyl-5-ethynylpyrazole

C7H8N2 — CID 63975915

IUPAC1-ethyl-5-ethynylpyrazole
SMILESC#Cc1ccnn1CC
InChIInChI=1S/C7H8N2/c1-3-7-5-6-8-9(7)4-2/h1,5-6H,4H2,2H3
InChIKeyRVRLSAKBYXYLEX-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.88
Rot. Bonds1

About 1-ethyl-5-ethynylpyrazole

1-ethyl-5-ethynylpyrazole (PubChem CID 63975915) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 1-ethyl-5-ethynylpyrazole.

Molecular Properties

Compound Name1-ethyl-5-ethynylpyrazole
PubChem CID63975915
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name1-ethyl-5-ethynylpyrazole
SMILESC#Cc1ccnn1CC
InChIInChI=1S/C7H8N2/c1-3-7-5-6-8-9(7)4-2/h1,5-6H,4H2,2H3
InChIKeyRVRLSAKBYXYLEX-UHFFFAOYSA-N
XLogP0.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-5-ethynylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-ethynylpyrazole?
The IUPAC name of 1-ethyl-5-ethynylpyrazole (CID 63975915) is 1-ethyl-5-ethynylpyrazole.
What is the SMILES notation for 1-ethyl-5-ethynylpyrazole?
The canonical SMILES for 1-ethyl-5-ethynylpyrazole is C#Cc1ccnn1CC.
What is the InChIKey of 1-ethyl-5-ethynylpyrazole?
The InChIKey is RVRLSAKBYXYLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-7-5-6-8-9(7)4-2/h1,5-6H,4H2,2H3.
What are the key properties of 1-ethyl-5-ethynylpyrazole?
1-ethyl-5-ethynylpyrazole has a molecular weight of 120.15 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-ethynylpyrazole is sourced from PubChem (CID 63975915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).