1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione

C19H16N2O2 — CID 569131

IUPAC1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione
SMILESO=c1c2ccccc2c(=O)n2n1C(c1ccccc1)CC21CC1
InChIInChI=1S/C19H16N2O2/c22-17-14-8-4-5-9-15(14)18(23)21-19(10-11-19)12-16(20(17)21)13-6-2-1-3-7-13/h1-9,16H,10-12H2
InChIKeyPBAQFMXKJKUYTN-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.65
Rot. Bonds1

About 1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione

1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione (PubChem CID 569131) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione.

Molecular Properties

Compound Name1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione
PubChem CID569131
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione
SMILESO=c1c2ccccc2c(=O)n2n1C(c1ccccc1)CC21CC1
InChIInChI=1S/C19H16N2O2/c22-17-14-8-4-5-9-15(14)18(23)21-19(10-11-19)12-16(20(17)21)13-6-2-1-3-7-13/h1-9,16H,10-12H2
InChIKeyPBAQFMXKJKUYTN-UHFFFAOYSA-N
XLogP2.65
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione?
The IUPAC name of 1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione (CID 569131) is 1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione.
What is the SMILES notation for 1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione?
The canonical SMILES for 1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione is O=c1c2ccccc2c(=O)n2n1C(c1ccccc1)CC21CC1.
What is the InChIKey of 1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione?
The InChIKey is PBAQFMXKJKUYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-17-14-8-4-5-9-15(14)18(23)21-19(10-11-19)12-16(20(17)21)13-6-2-1-3-7-13/h1-9,16H,10-12H2.
What are the key properties of 1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione?
1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione has a molecular weight of 304.35 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione is sourced from PubChem (CID 569131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).