2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone

C15H15N3O2S — CID 123401361

IUPAC2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone
SMILESO=C(c1[nH]nc2c1CSc1ccccc1-2)N1CCOCC1
InChIInChI=1S/C15H15N3O2S/c19-15(18-5-7-20-8-6-18)14-11-9-21-12-4-2-1-3-10(12)13(11)16-17-14/h1-4H,5-9H2,(H,16,17)
InChIKeyDMWJGAMVKYCYOV-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.15
Rot. Bonds1

About 2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone

2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone (PubChem CID 123401361) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone
PubChem CID123401361
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone
SMILESO=C(c1[nH]nc2c1CSc1ccccc1-2)N1CCOCC1
InChIInChI=1S/C15H15N3O2S/c19-15(18-5-7-20-8-6-18)14-11-9-21-12-4-2-1-3-10(12)13(11)16-17-14/h1-4H,5-9H2,(H,16,17)
InChIKeyDMWJGAMVKYCYOV-UHFFFAOYSA-N
XLogP2.15
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone?
The IUPAC name of 2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone (CID 123401361) is 2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone?
The canonical SMILES for 2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone is O=C(c1[nH]nc2c1CSc1ccccc1-2)N1CCOCC1.
What is the InChIKey of 2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone?
The InChIKey is DMWJGAMVKYCYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-15(18-5-7-20-8-6-18)14-11-9-21-12-4-2-1-3-10(12)13(11)16-17-14/h1-4H,5-9H2,(H,16,17).
What are the key properties of 2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone?
2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone has a molecular weight of 301.37 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 123401361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).