6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C25H16N4O — CID 15957948

IUPAC6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)cnc12
InChIInChI=1S/C25H16N4O/c26-15-20-16-28-29-24(19-7-3-1-4-8-19)23(17-27-25(20)29)18-11-13-22(14-12-18)30-21-9-5-2-6-10-21/h1-14,16-17H
InChIKeyQVXHWYHCMAYMIS-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.73
Rot. Bonds4

About 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 15957948) has the molecular formula C25H16N4O and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID15957948
Molecular FormulaC25H16N4O
Molecular Weight388.43 g/mol
Exact Mass388.13
IUPAC Name6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)cnc12
InChIInChI=1S/C25H16N4O/c26-15-20-16-28-29-24(19-7-3-1-4-8-19)23(17-27-25(20)29)18-11-13-22(14-12-18)30-21-9-5-2-6-10-21/h1-14,16-17H
InChIKeyQVXHWYHCMAYMIS-UHFFFAOYSA-N
XLogP5.73
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 15957948) is 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)cnc12.
What is the InChIKey of 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is QVXHWYHCMAYMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O/c26-15-20-16-28-29-24(19-7-3-1-4-8-19)23(17-27-25(20)29)18-11-13-22(14-12-18)30-21-9-5-2-6-10-21/h1-14,16-17H.
What are the key properties of 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 388.43 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 15957948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).