7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine

C9H5F2N3 — CID 141155969

IUPAC7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine
SMILESC#Cc1cc2nccc(C(F)F)n2n1
InChIInChI=1S/C9H5F2N3/c1-2-6-5-8-12-4-3-7(9(10)11)14(8)13-6/h1,3-5,9H
InChIKeyGMWHUAIRWSZZHE-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.65
Rot. Bonds1

About 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine

7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine (PubChem CID 141155969) has the molecular formula C9H5F2N3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine
PubChem CID141155969
Molecular FormulaC9H5F2N3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine
SMILESC#Cc1cc2nccc(C(F)F)n2n1
InChIInChI=1S/C9H5F2N3/c1-2-6-5-8-12-4-3-7(9(10)11)14(8)13-6/h1,3-5,9H
InChIKeyGMWHUAIRWSZZHE-UHFFFAOYSA-N
XLogP1.65
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine 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 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine (CID 141155969) is 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine is C#Cc1cc2nccc(C(F)F)n2n1.
What is the InChIKey of 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GMWHUAIRWSZZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3/c1-2-6-5-8-12-4-3-7(9(10)11)14(8)13-6/h1,3-5,9H.
What are the key properties of 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine has a molecular weight of 193.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141155969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).