3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine

C8H6F3N3 — CID 139608471

IUPAC3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
SMILESFCC(F)(F)c1cnn2cccnc12
InChIInChI=1S/C8H6F3N3/c9-5-8(10,11)6-4-13-14-3-1-2-12-7(6)14/h1-4H,5H2
InChIKeyBCVHUGBORORYSU-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.79
Rot. Bonds2

About 3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine

3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 139608471) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID139608471
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
SMILESFCC(F)(F)c1cnn2cccnc12
InChIInChI=1S/C8H6F3N3/c9-5-8(10,11)6-4-13-14-3-1-2-12-7(6)14/h1-4H,5H2
InChIKeyBCVHUGBORORYSU-UHFFFAOYSA-N
XLogP1.79
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo(1,5-a)pyrimidine-3-carbonitrile
CID 819275
1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
Pyrazolo(1,5-a)pyrimidine
CID 11636795
5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
7-Methylpyrazolo(1,5-a)pyrimidine
CID 12581393
Pyrazolo(1,5-a)(1,3,5)triazine
CID 21948548
6-Methylpyrazolo[1,5-a]pyrimidine
CID 12773553
2-Methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 14501859
5-Methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 45121237
5,6-Dimethylpyrazolo[1,5-A]pyrimidine
CID 49761390
5,7-Dichloro-3-ethylpyrazolo(1,5-a)pyrimidine
CID 17750391
{Pyrazolo[1,5-a]pyrimidin-6-yl}methanamine
CID 63820624

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine (CID 139608471) is 3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine is FCC(F)(F)c1cnn2cccnc12.
What is the InChIKey of 3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BCVHUGBORORYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-5-8(10,11)6-4-13-14-3-1-2-12-7(6)14/h1-4H,5H2.
What are the key properties of 3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 201.15 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 139608471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).