7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine

C10H10ClN3O — CID 21065749

IUPAC7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCOC2)nc2ccnn12
InChIInChI=1S/C10H10ClN3O/c11-9-5-8(7-2-4-15-6-7)13-10-1-3-12-14(9)10/h1,3,5,7H,2,4,6H2
InChIKeyNCFDOWMHLFBOIU-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.89
Rot. Bonds1

About 7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine

7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 21065749) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID21065749
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCOC2)nc2ccnn12
InChIInChI=1S/C10H10ClN3O/c11-9-5-8(7-2-4-15-6-7)13-10-1-3-12-14(9)10/h1,3,5,7H,2,4,6H2
InChIKeyNCFDOWMHLFBOIU-UHFFFAOYSA-N
XLogP1.89
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine (CID 21065749) is 7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine is Clc1cc(C2CCOC2)nc2ccnn12.
What is the InChIKey of 7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NCFDOWMHLFBOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-9-5-8(7-2-4-15-6-7)13-10-1-3-12-14(9)10/h1,3,5,7H,2,4,6H2.
What are the key properties of 7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine?
7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 223.66 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21065749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).