3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine

C24H17ClN4 — CID 126058344

IUPAC3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccccc2)cnc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn12
InChIInChI=1S/C24H17ClN4/c25-19-13-11-17(12-14-19)21-22(18-9-5-2-6-10-18)28-29-23(26)20(15-27-24(21)29)16-7-3-1-4-8-16/h1-15H,26H2
InChIKeyFFWDGEVKOKNELW-UHFFFAOYSA-N
MW396.88 g/mol
LogP5.97
Rot. Bonds3

About 3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine

3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126058344) has the molecular formula C24H17ClN4 and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126058344
Molecular FormulaC24H17ClN4
Molecular Weight396.88 g/mol
Exact Mass396.11
IUPAC Name3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccccc2)cnc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn12
InChIInChI=1S/C24H17ClN4/c25-19-13-11-17(12-14-19)21-22(18-9-5-2-6-10-18)28-29-23(26)20(15-27-24(21)29)16-7-3-1-4-8-16/h1-15H,26H2
InChIKeyFFWDGEVKOKNELW-UHFFFAOYSA-N
XLogP5.97
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 126058344) is 3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(-c2ccccc2)cnc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn12.
What is the InChIKey of 3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FFWDGEVKOKNELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4/c25-19-13-11-17(12-14-19)21-22(18-9-5-2-6-10-18)28-29-23(26)20(15-27-24(21)29)16-7-3-1-4-8-16/h1-15H,26H2.
What are the key properties of 3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 396.88 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126058344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).