5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

C11H12Cl2N4 — CID 58530978

IUPAC5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2nc(N3CCCCC3)cc2n1
InChIInChI=1S/C11H12Cl2N4/c12-8-6-9(13)17-10(14-8)7-11(15-17)16-4-2-1-3-5-16/h6-7H,1-5H2
InChIKeyDRJAFOMKCZZVNQ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.03
Rot. Bonds1

About 5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 58530978) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID58530978
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2nc(N3CCCCC3)cc2n1
InChIInChI=1S/C11H12Cl2N4/c12-8-6-9(13)17-10(14-8)7-11(15-17)16-4-2-1-3-5-16/h6-7H,1-5H2
InChIKeyDRJAFOMKCZZVNQ-UHFFFAOYSA-N
XLogP3.03
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 58530978) is 5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is Clc1cc(Cl)n2nc(N3CCCCC3)cc2n1.
What is the InChIKey of 5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DRJAFOMKCZZVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c12-8-6-9(13)17-10(14-8)7-11(15-17)16-4-2-1-3-5-16/h6-7H,1-5H2.
What are the key properties of 5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 271.15 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58530978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).