1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole

C13H16N2S2 — CID 121214713

IUPAC1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
SMILESCC(C)n1nc(-c2cccs2)c2c1CCSC2
InChIInChI=1S/C13H16N2S2/c1-9(2)15-11-5-7-16-8-10(11)13(14-15)12-4-3-6-17-12/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyZSSGAXLPAVZVKI-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.98
Rot. Bonds2

About 1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole

1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole (PubChem CID 121214713) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
PubChem CID121214713
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
SMILESCC(C)n1nc(-c2cccs2)c2c1CCSC2
InChIInChI=1S/C13H16N2S2/c1-9(2)15-11-5-7-16-8-10(11)13(14-15)12-4-3-6-17-12/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyZSSGAXLPAVZVKI-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole with MolForge

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Related Compounds

(1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine
CID 105465424
3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole
CID 121214710
1-(2-chloroethyl)-3-thiophen-2-yl-4,5,6,7-tetrahydroindazole
CID 121214628
1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126591908
3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide
CID 69331975
2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
CID 105461036
N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350218
1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 122387474
N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350047
N-cyclopropyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350557
2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine
CID 162717711
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 71938325

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The IUPAC name of 1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole (CID 121214713) is 1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole.
What is the SMILES notation for 1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The canonical SMILES for 1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole is CC(C)n1nc(-c2cccs2)c2c1CCSC2.
What is the InChIKey of 1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The InChIKey is ZSSGAXLPAVZVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-9(2)15-11-5-7-16-8-10(11)13(14-15)12-4-3-6-17-12/h3-4,6,9H,5,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole has a molecular weight of 264.42 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole is sourced from PubChem (CID 121214713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).