5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

C8H13N3OS — CID 59050136

IUPAC5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCC(C)n1nc2c(c1N)CS(=O)C2
InChIInChI=1S/C8H13N3OS/c1-5(2)11-8(9)6-3-13(12)4-7(6)10-11/h5H,3-4,9H2,1-2H3
InChIKeyBEKZOHHDHNZMSE-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.81
Rot. Bonds1

About 5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (PubChem CID 59050136) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
PubChem CID59050136
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCC(C)n1nc2c(c1N)CS(=O)C2
InChIInChI=1S/C8H13N3OS/c1-5(2)11-8(9)6-3-13(12)4-7(6)10-11/h5H,3-4,9H2,1-2H3
InChIKeyBEKZOHHDHNZMSE-UHFFFAOYSA-N
XLogP0.81
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-3-methyl-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
CID 2772275
2-Methyl-2,6-dihydro-4H-thieno(3,4-c)pyrazol-3-amine
CID 45121297
2-tert-Butyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-ylamine
CID 2049329
1-(1,1-Dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 43159021
1-(1,1-Dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 43670928
2-Butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 15358849
2-Ethyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 100917390
3-(5-Amino-3,4-dimethyl-1h-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
CID 43159025
2-Propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 59050134
N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 59050138
N-(2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 59050142
N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 59050143

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The IUPAC name of 5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (CID 59050136) is 5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The canonical SMILES for 5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is CC(C)n1nc2c(c1N)CS(=O)C2.
What is the InChIKey of 5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The InChIKey is BEKZOHHDHNZMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(2)11-8(9)6-3-13(12)4-7(6)10-11/h5H,3-4,9H2,1-2H3.
What are the key properties of 5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine has a molecular weight of 199.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 59050136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).