5-chloropyrazolo[1,5-a]pyrimidin-7-amine

C6H5ClN4 — CID 23131909

IUPAC5-chloropyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(Cl)nc2ccnn12
InChIInChI=1S/C6H5ClN4/c7-4-3-5(8)11-6(10-4)1-2-9-11/h1-3H,8H2
InChIKeyKFGHMVDZIWJNFJ-UHFFFAOYSA-N
MW168.59 g/mol
LogP0.96
Rot. Bonds

About 5-chloropyrazolo[1,5-a]pyrimidin-7-amine

5-chloropyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23131909) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 5-chloropyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloropyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID23131909
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name5-chloropyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(Cl)nc2ccnn12
InChIInChI=1S/C6H5ClN4/c7-4-3-5(8)11-6(10-4)1-2-9-11/h1-3H,8H2
InChIKeyKFGHMVDZIWJNFJ-UHFFFAOYSA-N
XLogP0.96
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloropyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloropyrazolo[1,5-a]pyrimidin-7-amine (CID 23131909) is 5-chloropyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloropyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloropyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(Cl)nc2ccnn12.
What is the InChIKey of 5-chloropyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KFGHMVDZIWJNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c7-4-3-5(8)11-6(10-4)1-2-9-11/h1-3H,8H2.
What are the key properties of 5-chloropyrazolo[1,5-a]pyrimidin-7-amine?
5-chloropyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 168.59 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23131909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).