2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine

C17H19N7 — CID 75201358

IUPAC2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(C#Cc3nc(N4CCCC4)nn3C)nc2c1C
InChIInChI=1S/C17H19N7/c1-12-13(2)20-24-11-8-14(18-16(12)24)6-7-15-19-17(21-22(15)3)23-9-4-5-10-23/h8,11H,4-5,9-10H2,1-3H3
InChIKeyUHFVCSZBBODTFM-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.47
Rot. Bonds1

About 2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine

2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 75201358) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine
PubChem CID75201358
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(C#Cc3nc(N4CCCC4)nn3C)nc2c1C
InChIInChI=1S/C17H19N7/c1-12-13(2)20-24-11-8-14(18-16(12)24)6-7-15-19-17(21-22(15)3)23-9-4-5-10-23/h8,11H,4-5,9-10H2,1-3H3
InChIKeyUHFVCSZBBODTFM-UHFFFAOYSA-N
XLogP1.47
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[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 2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine (CID 75201358) is 2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine is Cc1nn2ccc(C#Cc3nc(N4CCCC4)nn3C)nc2c1C.
What is the InChIKey of 2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is UHFVCSZBBODTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-12-13(2)20-24-11-8-14(18-16(12)24)6-7-15-19-17(21-22(15)3)23-9-4-5-10-23/h8,11H,4-5,9-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine?
2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 321.39 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75201358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).