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

C9H7F2N3 — CID 165452422

IUPAC3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine
SMILESFC1(F)CC1c1cnn2cccnc12
InChIInChI=1S/C9H7F2N3/c10-9(11)4-7(9)6-5-13-14-3-1-2-12-8(6)14/h1-3,5,7H,4H2
InChIKeyDITTYQDLXGXWNZ-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.85
Rot. Bonds1

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

3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 165452422) has the molecular formula C9H7F2N3 and a molecular weight of 195.17 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine
PubChem CID165452422
Molecular FormulaC9H7F2N3
Molecular Weight195.17 g/mol
Exact Mass195.06
IUPAC Name3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine
SMILESFC1(F)CC1c1cnn2cccnc12
InChIInChI=1S/C9H7F2N3/c10-9(11)4-7(9)6-5-13-14-3-1-2-12-8(6)14/h1-3,5,7H,4H2
InChIKeyDITTYQDLXGXWNZ-UHFFFAOYSA-N
XLogP1.85
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine (CID 165452422) is 3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine is FC1(F)CC1c1cnn2cccnc12.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DITTYQDLXGXWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3/c10-9(11)4-7(9)6-5-13-14-3-1-2-12-8(6)14/h1-3,5,7H,4H2.
What are the key properties of 3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine?
3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 195.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopropyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 165452422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).