4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol

C13H13F2N3O — CID 136709895

IUPAC4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2cc3n(n2)C(C(F)F)CCN3)cc1
InChIInChI=1S/C13H13F2N3O/c14-13(15)11-5-6-16-12-7-10(17-18(11)12)8-1-3-9(19)4-2-8/h1-4,7,11,13,16,19H,5-6H2
InChIKeyQLFWIRQTZAUPQM-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.88
Rot. Bonds2

About 4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol

4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol (PubChem CID 136709895) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol
PubChem CID136709895
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2cc3n(n2)C(C(F)F)CCN3)cc1
InChIInChI=1S/C13H13F2N3O/c14-13(15)11-5-6-16-12-7-10(17-18(11)12)8-1-3-9(19)4-2-8/h1-4,7,11,13,16,19H,5-6H2
InChIKeyQLFWIRQTZAUPQM-UHFFFAOYSA-N
XLogP2.88
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol (CID 136709895) is 4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol is Oc1ccc(-c2cc3n(n2)C(C(F)F)CCN3)cc1.
What is the InChIKey of 4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The InChIKey is QLFWIRQTZAUPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-13(15)11-5-6-16-12-7-10(17-18(11)12)8-1-3-9(19)4-2-8/h1-4,7,11,13,16,19H,5-6H2.
What are the key properties of 4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol has a molecular weight of 265.26 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 136709895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).