N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

C10H15N3O2S — CID 59050143

IUPACN-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1c2c(nn1C(C)C)CS(=O)C2
InChIInChI=1S/C10H15N3O2S/c1-6(2)13-10(11-7(3)14)8-4-16(15)5-9(8)12-13/h6H,4-5H2,1-3H3,(H,11,14)
InChIKeyKEZOVVYPLORJCD-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.18
Rot. Bonds2

About N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 59050143) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
PubChem CID59050143
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1c2c(nn1C(C)C)CS(=O)C2
InChIInChI=1S/C10H15N3O2S/c1-6(2)13-10(11-7(3)14)8-4-16(15)5-9(8)12-13/h6H,4-5H2,1-3H3,(H,11,14)
InChIKeyKEZOVVYPLORJCD-UHFFFAOYSA-N
XLogP1.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (CID 59050143) is N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is CC(=O)Nc1c2c(nn1C(C)C)CS(=O)C2.
What is the InChIKey of N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is KEZOVVYPLORJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6(2)13-10(11-7(3)14)8-4-16(15)5-9(8)12-13/h6H,4-5H2,1-3H3,(H,11,14).
What are the key properties of N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 241.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 59050143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).