2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline

C16H15N3S — CID 3158737

IUPAC2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1cccs1)Nc1c(C)cccc1-2
InChIInChI=1S/C16H15N3S/c1-10-5-3-6-12-13-9-11(2)18-19(13)16(17-15(10)12)14-7-4-8-20-14/h3-9,16-17H,1-2H3
InChIKeyPPCLYQFXMDCLBD-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.20
Rot. Bonds1

About 2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline

2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3158737) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3158737
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1cccs1)Nc1c(C)cccc1-2
InChIInChI=1S/C16H15N3S/c1-10-5-3-6-12-13-9-11(2)18-19(13)16(17-15(10)12)14-7-4-8-20-14/h3-9,16-17H,1-2H3
InChIKeyPPCLYQFXMDCLBD-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3158737) is 2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(c1cccs1)Nc1c(C)cccc1-2.
What is the InChIKey of 2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is PPCLYQFXMDCLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-10-5-3-6-12-13-9-11(2)18-19(13)16(17-15(10)12)14-7-4-8-20-14/h3-9,16-17H,1-2H3.
What are the key properties of 2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 281.38 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3158737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).