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

C17H16F3N7 — CID 75201523

IUPAC3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1c(C(F)(F)F)nn2ccc(C#Cc3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C17H16F3N7/c1-11-14(17(18,19)20)23-27-10-7-12(21-15(11)27)5-6-13-22-16(24-25(13)2)26-8-3-4-9-26/h7,10H,3-4,8-9H2,1-2H3
InChIKeyDHPYPZQKOLUQGA-UHFFFAOYSA-N
MW375.36 g/mol
LogP2.19
Rot. Bonds1

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

3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 75201523) has the molecular formula C17H16F3N7 and a molecular weight of 375.36 g/mol. Its IUPAC name is 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID75201523
Molecular FormulaC17H16F3N7
Molecular Weight375.36 g/mol
Exact Mass375.14
IUPAC Name3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1c(C(F)(F)F)nn2ccc(C#Cc3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C17H16F3N7/c1-11-14(17(18,19)20)23-27-10-7-12(21-15(11)27)5-6-13-22-16(24-25(13)2)26-8-3-4-9-26/h7,10H,3-4,8-9H2,1-2H3
InChIKeyDHPYPZQKOLUQGA-UHFFFAOYSA-N
XLogP2.19
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)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 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 75201523) is 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1c(C(F)(F)F)nn2ccc(C#Cc3nc(N4CCCC4)nn3C)nc12.
What is the InChIKey of 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DHPYPZQKOLUQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7/c1-11-14(17(18,19)20)23-27-10-7-12(21-15(11)27)5-6-13-22-16(24-25(13)2)26-8-3-4-9-26/h7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 375.36 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75201523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).