6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C18H13ClN4 — CID 7709801

IUPAC6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2cccc(Cl)c2)cnc2c(-c3ccccc3)cnn12
InChIInChI=1S/C18H13ClN4/c19-14-8-4-7-13(9-14)15-10-21-18-16(11-22-23(18)17(15)20)12-5-2-1-3-6-12/h1-11H,20H2
InChIKeyLSGYGGYECBGDQD-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.30
Rot. Bonds2

About 6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 7709801) has the molecular formula C18H13ClN4 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID7709801
Molecular FormulaC18H13ClN4
Molecular Weight320.78 g/mol
Exact Mass320.08
IUPAC Name6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2cccc(Cl)c2)cnc2c(-c3ccccc3)cnn12
InChIInChI=1S/C18H13ClN4/c19-14-8-4-7-13(9-14)15-10-21-18-16(11-22-23(18)17(15)20)12-5-2-1-3-6-12/h1-11H,20H2
InChIKeyLSGYGGYECBGDQD-UHFFFAOYSA-N
XLogP4.30
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 7709801) is 6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(-c2cccc(Cl)c2)cnc2c(-c3ccccc3)cnn12.
What is the InChIKey of 6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LSGYGGYECBGDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4/c19-14-8-4-7-13(9-14)15-10-21-18-16(11-22-23(18)17(15)20)12-5-2-1-3-6-12/h1-11H,20H2.
What are the key properties of 6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 320.78 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 7709801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).