3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C18H16F4N4 — CID 46299173

IUPAC3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C18H16F4N4/c1-11-10-14(25-8-2-3-9-25)26-17(23-11)15(16(24-26)18(20,21)22)12-4-6-13(19)7-5-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyAQGFRDLGAWJIKI-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.46
Rot. Bonds2

About 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 46299173) has the molecular formula C18H16F4N4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID46299173
Molecular FormulaC18H16F4N4
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C18H16F4N4/c1-11-10-14(25-8-2-3-9-25)26-17(23-11)15(16(24-26)18(20,21)22)12-4-6-13(19)7-5-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyAQGFRDLGAWJIKI-UHFFFAOYSA-N
XLogP4.46
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-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-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 46299173) is 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AQGFRDLGAWJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4/c1-11-10-14(25-8-2-3-9-25)26-17(23-11)15(16(24-26)18(20,21)22)12-4-6-13(19)7-5-12/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 364.35 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46299173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).