1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole

C24H28N4O — CID 25059251

IUPAC1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole
SMILESc1ccc(N2CCN(CCC3OCCc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H28N4O/c1-3-7-20(8-4-1)27-16-14-26(15-17-27)13-11-24-22-19-25-28(23(22)12-18-29-24)21-9-5-2-6-10-21/h1-10,19,24H,11-18H2
InChIKeyVSKVHXRZGHIJJW-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.70
Rot. Bonds5

About 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole

1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole (PubChem CID 25059251) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole.

Molecular Properties

Compound Name1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole
PubChem CID25059251
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC Name1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole
SMILESc1ccc(N2CCN(CCC3OCCc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H28N4O/c1-3-7-20(8-4-1)27-16-14-26(15-17-27)13-11-24-22-19-25-28(23(22)12-18-29-24)21-9-5-2-6-10-21/h1-10,19,24H,11-18H2
InChIKeyVSKVHXRZGHIJJW-UHFFFAOYSA-N
XLogP3.70
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole?
The IUPAC name of 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole (CID 25059251) is 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole.
What is the SMILES notation for 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole?
The canonical SMILES for 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole is c1ccc(N2CCN(CCC3OCCc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole?
The InChIKey is VSKVHXRZGHIJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-3-7-20(8-4-1)27-16-14-26(15-17-27)13-11-24-22-19-25-28(23(22)12-18-29-24)21-9-5-2-6-10-21/h1-10,19,24H,11-18H2.
What are the key properties of 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole?
1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole has a molecular weight of 388.51 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole is sourced from PubChem (CID 25059251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).