ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate

C20H17N3O2S — CID 2727402

IUPACethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1cnn2c1nc(Sc1ccc(C)cc1)c1ccccc12
InChIInChI=1S/C20H17N3O2S/c1-3-25-20(24)16-12-21-23-17-7-5-4-6-15(17)19(22-18(16)23)26-14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3
InChIKeyDISHGPKDKZHSMY-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.52
Rot. Bonds4

About ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate

ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 2727402) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID2727402
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Nameethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1cnn2c1nc(Sc1ccc(C)cc1)c1ccccc12
InChIInChI=1S/C20H17N3O2S/c1-3-25-20(24)16-12-21-23-17-7-5-4-6-15(17)19(22-18(16)23)26-14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3
InChIKeyDISHGPKDKZHSMY-UHFFFAOYSA-N
XLogP4.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate (CID 2727402) is ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate is CCOC(=O)c1cnn2c1nc(Sc1ccc(C)cc1)c1ccccc12.
What is the InChIKey of ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is DISHGPKDKZHSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-3-25-20(24)16-12-21-23-17-7-5-4-6-15(17)19(22-18(16)23)26-14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate?
ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 363.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methylphenyl)sulfanylpyrazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 2727402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).