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

C17H17N3S — CID 648792

IUPAC2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1ccc2c(c1)-c1cc(C)nn1C(c1sccc1C)N2
InChIInChI=1S/C17H17N3S/c1-10-4-5-14-13(8-10)15-9-12(3)19-20(15)17(18-14)16-11(2)6-7-21-16/h4-9,17-18H,1-3H3
InChIKeyRWQHEWFWLKRKOL-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.51
Rot. Bonds1

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

2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 648792) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID648792
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1ccc2c(c1)-c1cc(C)nn1C(c1sccc1C)N2
InChIInChI=1S/C17H17N3S/c1-10-4-5-14-13(8-10)15-9-12(3)19-20(15)17(18-14)16-11(2)6-7-21-16/h4-9,17-18H,1-3H3
InChIKeyRWQHEWFWLKRKOL-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 648792) is 2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1ccc2c(c1)-c1cc(C)nn1C(c1sccc1C)N2.
What is the InChIKey of 2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is RWQHEWFWLKRKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-10-4-5-14-13(8-10)15-9-12(3)19-20(15)17(18-14)16-11(2)6-7-21-16/h4-9,17-18H,1-3H3.
What are the key properties of 2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 295.41 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 648792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).