3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine

C24H16ClN3 — CID 3850835

IUPAC3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cccc(-c2cnn3c(-c4ccc(-c5ccccc5)cc4)ccnc23)c1
InChIInChI=1S/C24H16ClN3/c25-21-8-4-7-20(15-21)22-16-27-28-23(13-14-26-24(22)28)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16H
InChIKeyBWJUDBPBSZLYIU-UHFFFAOYSA-N
MW381.87 g/mol
LogP6.38
Rot. Bonds3

About 3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine

3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 3850835) has the molecular formula C24H16ClN3 and a molecular weight of 381.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID3850835
Molecular FormulaC24H16ClN3
Molecular Weight381.87 g/mol
Exact Mass381.10
IUPAC Name3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cccc(-c2cnn3c(-c4ccc(-c5ccccc5)cc4)ccnc23)c1
InChIInChI=1S/C24H16ClN3/c25-21-8-4-7-20(15-21)22-16-27-28-23(13-14-26-24(22)28)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16H
InChIKeyBWJUDBPBSZLYIU-UHFFFAOYSA-N
XLogP6.38
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.87
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine (CID 3850835) is 3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine is Clc1cccc(-c2cnn3c(-c4ccc(-c5ccccc5)cc4)ccnc23)c1.
What is the InChIKey of 3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BWJUDBPBSZLYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3/c25-21-8-4-7-20(15-21)22-16-27-28-23(13-14-26-24(22)28)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16H.
What are the key properties of 3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine?
3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 381.87 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3850835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).