5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline

C20H19N3O2 — CID 648825

IUPAC5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc(C)c2c(c1)-c1cc(C)nn1C(c1ccc3c(c1)OCO3)N2
InChIInChI=1S/C20H19N3O2/c1-11-6-12(2)19-15(7-11)16-8-13(3)22-23(16)20(21-19)14-4-5-17-18(9-14)25-10-24-17/h4-9,20-21H,10H2,1-3H3
InChIKeyXSGCILQLXJLOOK-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.18
Rot. Bonds1

About 5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline

5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 648825) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID648825
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc(C)c2c(c1)-c1cc(C)nn1C(c1ccc3c(c1)OCO3)N2
InChIInChI=1S/C20H19N3O2/c1-11-6-12(2)19-15(7-11)16-8-13(3)22-23(16)20(21-19)14-4-5-17-18(9-14)25-10-24-17/h4-9,20-21H,10H2,1-3H3
InChIKeyXSGCILQLXJLOOK-UHFFFAOYSA-N
XLogP4.18
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 648825) is 5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc(C)c2c(c1)-c1cc(C)nn1C(c1ccc3c(c1)OCO3)N2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is XSGCILQLXJLOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-11-6-12(2)19-15(7-11)16-8-13(3)22-23(16)20(21-19)14-4-5-17-18(9-14)25-10-24-17/h4-9,20-21H,10H2,1-3H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 333.39 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 648825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).