(7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole

C22H22N2O — CID 12532320

IUPAC(7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole
SMILESCCCn1nc(-c2ccccc2)c2c1/C(=C/c1ccccc1)COC2
InChIInChI=1S/C22H22N2O/c1-2-13-24-22-19(14-17-9-5-3-6-10-17)15-25-16-20(22)21(23-24)18-11-7-4-8-12-18/h3-12,14H,2,13,15-16H2,1H3/b19-14+
InChIKeyJZPQCGUHYMUFAG-XMHGGMMESA-N
MW330.43 g/mol
LogP5.03
Rot. Bonds4

About (7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole

(7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole (PubChem CID 12532320) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole.

Molecular Properties

Compound Name(7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole
PubChem CID12532320
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole
SMILESCCCn1nc(-c2ccccc2)c2c1/C(=C/c1ccccc1)COC2
InChIInChI=1S/C22H22N2O/c1-2-13-24-22-19(14-17-9-5-3-6-10-17)15-25-16-20(22)21(23-24)18-11-7-4-8-12-18/h3-12,14H,2,13,15-16H2,1H3/b19-14+
InChIKeyJZPQCGUHYMUFAG-XMHGGMMESA-N
XLogP5.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole?
The IUPAC name of (7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole (CID 12532320) is (7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole.
What is the SMILES notation for (7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole?
The canonical SMILES for (7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole is CCCn1nc(-c2ccccc2)c2c1/C(=C/c1ccccc1)COC2.
What is the InChIKey of (7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole?
The InChIKey is JZPQCGUHYMUFAG-XMHGGMMESA-N. The full InChI is InChI=1S/C22H22N2O/c1-2-13-24-22-19(14-17-9-5-3-6-10-17)15-25-16-20(22)21(23-24)18-11-7-4-8-12-18/h3-12,14H,2,13,15-16H2,1H3/b19-14+.
What are the key properties of (7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole?
(7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole has a molecular weight of 330.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole is sourced from PubChem (CID 12532320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).