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

C13H12F3N5 — CID 3788342

IUPAC5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3cnn(C)c3C(F)(F)F)cc2n1
InChIInChI=1S/C13H12F3N5/c1-7-4-8(2)21-11(18-7)5-10(19-21)9-6-17-20(3)12(9)13(14,15)16/h4-6H,1-3H3
InChIKeyNAKILFUUCSXQDW-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.77
Rot. Bonds1

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

5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 3788342) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID3788342
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3cnn(C)c3C(F)(F)F)cc2n1
InChIInChI=1S/C13H12F3N5/c1-7-4-8(2)21-11(18-7)5-10(19-21)9-6-17-20(3)12(9)13(14,15)16/h4-6H,1-3H3
InChIKeyNAKILFUUCSXQDW-UHFFFAOYSA-N
XLogP2.77
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine (CID 3788342) is 5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(-c3cnn(C)c3C(F)(F)F)cc2n1.
What is the InChIKey of 5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is NAKILFUUCSXQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c1-7-4-8(2)21-11(18-7)5-10(19-21)9-6-17-20(3)12(9)13(14,15)16/h4-6H,1-3H3.
What are the key properties of 5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 295.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3788342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).