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

C19H17N3O2 — CID 652264

IUPAC5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1ccc2c(c1)-c1cc(C)nn1C(c1ccc3c(c1)OCO3)N2
InChIInChI=1S/C19H17N3O2/c1-11-3-5-15-14(7-11)16-8-12(2)21-22(16)19(20-15)13-4-6-17-18(9-13)24-10-23-17/h3-9,19-20H,10H2,1-2H3
InChIKeyJLELGLQRUQDDHL-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.87
Rot. Bonds1

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

5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 652264) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID652264
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1ccc2c(c1)-c1cc(C)nn1C(c1ccc3c(c1)OCO3)N2
InChIInChI=1S/C19H17N3O2/c1-11-3-5-15-14(7-11)16-8-12(2)21-22(16)19(20-15)13-4-6-17-18(9-13)24-10-23-17/h3-9,19-20H,10H2,1-2H3
InChIKeyJLELGLQRUQDDHL-UHFFFAOYSA-N
XLogP3.87
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.87
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)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 652264) is 5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1ccc2c(c1)-c1cc(C)nn1C(c1ccc3c(c1)OCO3)N2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is JLELGLQRUQDDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-11-3-5-15-14(7-11)16-8-12(2)21-22(16)19(20-15)13-4-6-17-18(9-13)24-10-23-17/h3-9,19-20H,10H2,1-2H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-(1,3-benzodioxol-5-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 319.36 g/mol, XLogP of 3.87, 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)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 652264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).