5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione

About 5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione

5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione (PubChem CID 152787117) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione.

Molecular Properties

Compound Name	5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
PubChem CID	152787117
Molecular Formula	C24H26N4O2
Molecular Weight	402.50 g/mol
Exact Mass	402.21
IUPAC Name	5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
SMILES	Cc1cc2n(n1)CCCN2C(=O)CCC(=O)Cc1ccc(-c2ccccc2N)cc1
InChI	InChI=1S/C24H26N4O2/c1-17-15-23-27(13-4-14-28(23)26-17)24(30)12-11-20(29)16-18-7-9-19(10-8-18)21-5-2-3-6-22(21)25/h2-3,5-10,15H,4,11-14,16,25H2,1H3
InChIKey	RYTPZMIAEMBLSY-UHFFFAOYSA-N
XLogP	3.77
TPSA	81.22 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?

The IUPAC name of 5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione (CID 152787117) is 5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione.

What is the SMILES notation for 5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?

The canonical SMILES for 5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)Cc1ccc(-c2ccccc2N)cc1.

What is the InChIKey of 5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?

The InChIKey is RYTPZMIAEMBLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-15-23-27(13-4-14-28(23)26-17)24(30)12-11-20(29)16-18-7-9-19(10-8-18)21-5-2-3-6-22(21)25/h2-3,5-10,15H,4,11-14,16,25H2,1H3.

What are the key properties of 5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?

5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione has a molecular weight of 402.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione is sourced from PubChem (CID 152787117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).