(2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol

C9H14N2O3S — CID 121214505

IUPAC(2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol
SMILESCCn1nc2c(c1CO)CS(=O)(=O)CC2
InChIInChI=1S/C9H14N2O3S/c1-2-11-9(5-12)7-6-15(13,14)4-3-8(7)10-11/h12H,2-6H2,1H3
InChIKeyKCTOBLAPBGNNJG-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.13
Rot. Bonds2

About (2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol

(2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol (PubChem CID 121214505) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is (2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol
PubChem CID121214505
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name(2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol
SMILESCCn1nc2c(c1CO)CS(=O)(=O)CC2
InChIInChI=1S/C9H14N2O3S/c1-2-11-9(5-12)7-6-15(13,14)4-3-8(7)10-11/h12H,2-6H2,1H3
InChIKeyKCTOBLAPBGNNJG-UHFFFAOYSA-N
XLogP-0.13
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol?
The IUPAC name of (2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol (CID 121214505) is (2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol.
What is the SMILES notation for (2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol?
The canonical SMILES for (2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol is CCn1nc2c(c1CO)CS(=O)(=O)CC2.
What is the InChIKey of (2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol?
The InChIKey is KCTOBLAPBGNNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-2-11-9(5-12)7-6-15(13,14)4-3-8(7)10-11/h12H,2-6H2,1H3.
What are the key properties of (2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol?
(2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol has a molecular weight of 230.29 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol is sourced from PubChem (CID 121214505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).