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

C13H9F6N5 — CID 1480657

IUPAC5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(-c3cnn(C)c3C(F)(F)F)cc2n1
InChIInChI=1S/C13H9F6N5/c1-6-3-9(12(14,15)16)24-10(21-6)4-8(22-24)7-5-20-23(2)11(7)13(17,18)19/h3-5H,1-2H3
InChIKeyMXQALTYOKYPNLT-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.48
Rot. Bonds1

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

5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1480657) has the molecular formula C13H9F6N5 and a molecular weight of 349.24 g/mol. Its IUPAC name is 5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1480657
Molecular FormulaC13H9F6N5
Molecular Weight349.24 g/mol
Exact Mass349.08
IUPAC Name5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(-c3cnn(C)c3C(F)(F)F)cc2n1
InChIInChI=1S/C13H9F6N5/c1-6-3-9(12(14,15)16)24-10(21-6)4-8(22-24)7-5-20-23(2)11(7)13(17,18)19/h3-5H,1-2H3
InChIKeyMXQALTYOKYPNLT-UHFFFAOYSA-N
XLogP3.48
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(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 5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1480657) is 5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(-c3cnn(C)c3C(F)(F)F)cc2n1.
What is the InChIKey of 5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MXQALTYOKYPNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6N5/c1-6-3-9(12(14,15)16)24-10(21-6)4-8(22-24)7-5-20-23(2)11(7)13(17,18)19/h3-5H,1-2H3.
What are the key properties of 5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 349.24 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1480657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).