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

C18H17N3S — CID 655277

IUPAC2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCSc1ccc(C2Nc3ccccc3-c3cc(C)nn32)cc1
InChIInChI=1S/C18H17N3S/c1-12-11-17-15-5-3-4-6-16(15)19-18(21(17)20-12)13-7-9-14(22-2)10-8-13/h3-11,18-19H,1-2H3
InChIKeyGKXYBUHUMGKAQY-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.55
Rot. Bonds2

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

2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 655277) has the molecular formula C18H17N3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID655277
Molecular FormulaC18H17N3S
Molecular Weight307.42 g/mol
Exact Mass307.11
IUPAC Name2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCSc1ccc(C2Nc3ccccc3-c3cc(C)nn32)cc1
InChIInChI=1S/C18H17N3S/c1-12-11-17-15-5-3-4-6-16(15)19-18(21(17)20-12)13-7-9-14(22-2)10-8-13/h3-11,18-19H,1-2H3
InChIKeyGKXYBUHUMGKAQY-UHFFFAOYSA-N
XLogP4.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 655277) is 2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is CSc1ccc(C2Nc3ccccc3-c3cc(C)nn32)cc1.
What is the InChIKey of 2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is GKXYBUHUMGKAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3S/c1-12-11-17-15-5-3-4-6-16(15)19-18(21(17)20-12)13-7-9-14(22-2)10-8-13/h3-11,18-19H,1-2H3.
What are the key properties of 2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 307.42 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 655277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).