(7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole

C19H18N2S — CID 15567418

IUPAC(7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole
SMILESC(=C1\CSCC2C1=NNC2c1ccccc1)\c1ccccc1
InChIInChI=1S/C19H18N2S/c1-3-7-14(8-4-1)11-16-12-22-13-17-18(20-21-19(16)17)15-9-5-2-6-10-15/h1-11,17-18,20H,12-13H2/b16-11+
InChIKeyMVKGOWNLJZGHST-LFIBNONCSA-N
MW306.43 g/mol
LogP4.13
Rot. Bonds2

About (7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole

(7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole (PubChem CID 15567418) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name(7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole
PubChem CID15567418
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC Name(7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole
SMILESC(=C1\CSCC2C1=NNC2c1ccccc1)\c1ccccc1
InChIInChI=1S/C19H18N2S/c1-3-7-14(8-4-1)11-16-12-22-13-17-18(20-21-19(16)17)15-9-5-2-6-10-15/h1-11,17-18,20H,12-13H2/b16-11+
InChIKeyMVKGOWNLJZGHST-LFIBNONCSA-N
XLogP4.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole?
The IUPAC name of (7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole (CID 15567418) is (7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole.
What is the SMILES notation for (7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole?
The canonical SMILES for (7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole is C(=C1\CSCC2C1=NNC2c1ccccc1)\c1ccccc1.
What is the InChIKey of (7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole?
The InChIKey is MVKGOWNLJZGHST-LFIBNONCSA-N. The full InChI is InChI=1S/C19H18N2S/c1-3-7-14(8-4-1)11-16-12-22-13-17-18(20-21-19(16)17)15-9-5-2-6-10-15/h1-11,17-18,20H,12-13H2/b16-11+.
What are the key properties of (7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole?
(7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole has a molecular weight of 306.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole is sourced from PubChem (CID 15567418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).