2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

C19H19N3S — CID 3327818

IUPAC2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCSc1ccc(C2Nc3ccc(C)cc3-c3cc(C)nn32)cc1
InChIInChI=1S/C19H19N3S/c1-12-4-9-17-16(10-12)18-11-13(2)21-22(18)19(20-17)14-5-7-15(23-3)8-6-14/h4-11,19-20H,1-3H3
InChIKeyMFEBOKGKJRSCDZ-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.86
Rot. Bonds2

About 2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3327818) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3327818
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCSc1ccc(C2Nc3ccc(C)cc3-c3cc(C)nn32)cc1
InChIInChI=1S/C19H19N3S/c1-12-4-9-17-16(10-12)18-11-13(2)21-22(18)19(20-17)14-5-7-15(23-3)8-6-14/h4-11,19-20H,1-3H3
InChIKeyMFEBOKGKJRSCDZ-UHFFFAOYSA-N
XLogP4.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.86
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-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3327818) is 2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is CSc1ccc(C2Nc3ccc(C)cc3-c3cc(C)nn32)cc1.
What is the InChIKey of 2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is MFEBOKGKJRSCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-12-4-9-17-16(10-12)18-11-13(2)21-22(18)19(20-17)14-5-7-15(23-3)8-6-14/h4-11,19-20H,1-3H3.
What are the key properties of 2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 321.45 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3327818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).