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

C11H12F3N5 — CID 136838162

IUPAC7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCn1cc(C2CCNc3cc(C(F)(F)F)nn32)cn1
InChIInChI=1S/C11H12F3N5/c1-18-6-7(5-16-18)8-2-3-15-10-4-9(11(12,13)14)17-19(8)10/h4-6,8,15H,2-3H2,1H3
InChIKeyJMJVAPZIHMYOSQ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.04
Rot. Bonds1

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

7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838162) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838162
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCn1cc(C2CCNc3cc(C(F)(F)F)nn32)cn1
InChIInChI=1S/C11H12F3N5/c1-18-6-7(5-16-18)8-2-3-15-10-4-9(11(12,13)14)17-19(8)10/h4-6,8,15H,2-3H2,1H3
InChIKeyJMJVAPZIHMYOSQ-UHFFFAOYSA-N
XLogP2.04
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838162) is 7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cn1cc(C2CCNc3cc(C(F)(F)F)nn32)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is JMJVAPZIHMYOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-18-6-7(5-16-18)8-2-3-15-10-4-9(11(12,13)14)17-19(8)10/h4-6,8,15H,2-3H2,1H3.
What are the key properties of 7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 271.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).