3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol

C7H4F3N3O — CID 133060875

IUPAC3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol
SMILESOc1cnc2c(C(F)(F)F)cnn2c1
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)5-2-12-13-3-4(14)1-11-6(5)13/h1-3,14H
InChIKeyKAMXRXBYTVYUMY-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.45
Rot. Bonds

About 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol

3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol (PubChem CID 133060875) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol
PubChem CID133060875
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol
SMILESOc1cnc2c(C(F)(F)F)cnn2c1
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)5-2-12-13-3-4(14)1-11-6(5)13/h1-3,14H
InChIKeyKAMXRXBYTVYUMY-UHFFFAOYSA-N
XLogP1.45
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol?
The IUPAC name of 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol (CID 133060875) is 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol.
What is the SMILES notation for 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol?
The canonical SMILES for 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol is Oc1cnc2c(C(F)(F)F)cnn2c1.
What is the InChIKey of 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol?
The InChIKey is KAMXRXBYTVYUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)5-2-12-13-3-4(14)1-11-6(5)13/h1-3,14H.
What are the key properties of 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol?
3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol has a molecular weight of 203.12 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-ol is sourced from PubChem (CID 133060875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).