7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C12H11ClF3N3O — CID 82270020

IUPAC7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2nc(C3CCOCC3)cc2n1
InChIInChI=1S/C12H11ClF3N3O/c13-10-6-9(12(14,15)16)17-11-5-8(18-19(10)11)7-1-3-20-4-2-7/h5-7H,1-4H2
InChIKeyKCTWVJGGABBFFH-UHFFFAOYSA-N
MW305.69 g/mol
LogP3.30
Rot. Bonds1

About 7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82270020) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is 7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82270020
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2nc(C3CCOCC3)cc2n1
InChIInChI=1S/C12H11ClF3N3O/c13-10-6-9(12(14,15)16)17-11-5-8(18-19(10)11)7-1-3-20-4-2-7/h5-7H,1-4H2
InChIKeyKCTWVJGGABBFFH-UHFFFAOYSA-N
XLogP3.30
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 82270020) is 7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(Cl)n2nc(C3CCOCC3)cc2n1.
What is the InChIKey of 7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KCTWVJGGABBFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O/c13-10-6-9(12(14,15)16)17-11-5-8(18-19(10)11)7-1-3-20-4-2-7/h5-7H,1-4H2.
What are the key properties of 7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 305.69 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(oxan-4-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82270020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).