2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H12Cl2N4 — CID 16641334

IUPAC2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(-c2cccc(Cl)c2)nc2cc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C18H12Cl2N4/c19-13-5-1-3-11(7-13)15-9-17(21)24-18(22-15)10-16(23-24)12-4-2-6-14(20)8-12/h1-10H,21H2
InChIKeyOJDSZHGOCBOQDE-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.95
Rot. Bonds2

About 2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 16641334) has the molecular formula C18H12Cl2N4 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID16641334
Molecular FormulaC18H12Cl2N4
Molecular Weight355.23 g/mol
Exact Mass354.04
IUPAC Name2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(-c2cccc(Cl)c2)nc2cc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C18H12Cl2N4/c19-13-5-1-3-11(7-13)15-9-17(21)24-18(22-15)10-16(23-24)12-4-2-6-14(20)8-12/h1-10H,21H2
InChIKeyOJDSZHGOCBOQDE-UHFFFAOYSA-N
XLogP4.95
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 16641334) is 2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(-c2cccc(Cl)c2)nc2cc(-c3cccc(Cl)c3)nn12.
What is the InChIKey of 2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OJDSZHGOCBOQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4/c19-13-5-1-3-11(7-13)15-9-17(21)24-18(22-15)10-16(23-24)12-4-2-6-14(20)8-12/h1-10H,21H2.
What are the key properties of 2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 355.23 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 16641334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).