2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

C19H19N3S — CID 4989408

IUPAC2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCSc1ccc(C2Nc3c(C)cccc3-c3cc(C)nn32)cc1
InChIInChI=1S/C19H19N3S/c1-12-5-4-6-16-17-11-13(2)21-22(17)19(20-18(12)16)14-7-9-15(23-3)10-8-14/h4-11,19-20H,1-3H3
InChIKeyUUXYWDPDLNZECP-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.86
Rot. Bonds2

About 2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 4989408) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID4989408
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCSc1ccc(C2Nc3c(C)cccc3-c3cc(C)nn32)cc1
InChIInChI=1S/C19H19N3S/c1-12-5-4-6-16-17-11-13(2)21-22(17)19(20-18(12)16)14-7-9-15(23-3)10-8-14/h4-11,19-20H,1-3H3
InChIKeyUUXYWDPDLNZECP-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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Related Compounds

2-Methyl-5-phenyl-3,5-dihydropyrazolo[1,5-c]quinazoline
CID 646753
2,9-Dimethyl-5-(3-methyl-thiophen-2-yl)-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 648792
2-Methyl-5-(4-methylsulfanyl-phenyl)-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 655277
N-[4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenyl]acetamide
CID 3158722
2-Methyl-5-(3-thiophenyl)-3,5-dihydropyrazolo[1,5-c]quinazoline
CID 644536
2-Methyl-5-(3-methyl-thiophen-2-yl)-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 649026
2,7-Dimethyl-5-(3-methyl-thiophen-2-yl)-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 652529
Dimethyl-[4-(2-methyl-5,6-dihydro-pyrazolo[1,5-c]quinazolin-5-yl)-phenyl]-amine
CID 656199
2-Methyl-5-(2-thienyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158646
5-(2-Fluorophenyl)-2,9-dimethyl-5H,6H-pyrazolo[1,5-C]quinazoline
CID 3158674
N,N-diethyl-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)aniline
CID 4430536
2-Phenyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 135456674

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 4989408) is 2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is CSc1ccc(C2Nc3c(C)cccc3-c3cc(C)nn32)cc1.
What is the InChIKey of 2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is UUXYWDPDLNZECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-12-5-4-6-16-17-11-13(2)21-22(17)19(20-18(12)16)14-7-9-15(23-3)10-8-14/h4-11,19-20H,1-3H3.
What are the key properties of 2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,7-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 2,7-dimethyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 4989408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).