5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C13H16F3N5 — CID 171314919

IUPAC5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(C(F)(F)F)CC(c1cn(C)nc1C)N2
InChIInChI=1S/C13H16F3N5/c1-7-4-12-17-10(9-6-20(3)19-8(9)2)5-11(13(14,15)16)21(12)18-7/h4,6,10-11,17H,5H2,1-3H3
InChIKeyTXADEPCCSNWPOI-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.89
Rot. Bonds1

About 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 171314919) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID171314919
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(C(F)(F)F)CC(c1cn(C)nc1C)N2
InChIInChI=1S/C13H16F3N5/c1-7-4-12-17-10(9-6-20(3)19-8(9)2)5-11(13(14,15)16)21(12)18-7/h4,6,10-11,17H,5H2,1-3H3
InChIKeyTXADEPCCSNWPOI-UHFFFAOYSA-N
XLogP2.89
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 171314919) is 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1cc2n(n1)C(C(F)(F)F)CC(c1cn(C)nc1C)N2.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is TXADEPCCSNWPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-7-4-12-17-10(9-6-20(3)19-8(9)2)5-11(13(14,15)16)21(12)18-7/h4,6,10-11,17H,5H2,1-3H3.
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 299.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171314919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).