2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

C12H13N3O2S2 — CID 122402968

IUPAC2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCS(=O)(=O)c1ccc(-n2nc3c(c2N)CSC3)cc1
InChIInChI=1S/C12H13N3O2S2/c1-19(16,17)9-4-2-8(3-5-9)15-12(13)10-6-18-7-11(10)14-15/h2-5H,6-7,13H2,1H3
InChIKeyJLLBEJRXBXNPRT-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.60
Rot. Bonds2

About 2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (PubChem CID 122402968) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
PubChem CID122402968
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCS(=O)(=O)c1ccc(-n2nc3c(c2N)CSC3)cc1
InChIInChI=1S/C12H13N3O2S2/c1-19(16,17)9-4-2-8(3-5-9)15-12(13)10-6-18-7-11(10)14-15/h2-5H,6-7,13H2,1H3
InChIKeyJLLBEJRXBXNPRT-UHFFFAOYSA-N
XLogP1.60
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 83871483
5-bromo-1-(4-methylsulfonylphenyl)-1,2,4-triazol-3-amine
CID 103099058
3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole
CID 83192765
5-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 174605687
2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole
CID 83191978
4-[3-methylsulfonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]aniline
CID 19886132
1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine
CID 103084958
2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348604
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 121030426
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 3520469
2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 105422324
3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-4-amine
CID 54227856

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (CID 122402968) is 2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is CS(=O)(=O)c1ccc(-n2nc3c(c2N)CSC3)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The InChIKey is JLLBEJRXBXNPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-19(16,17)9-4-2-8(3-5-9)15-12(13)10-6-18-7-11(10)14-15/h2-5H,6-7,13H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine has a molecular weight of 295.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 122402968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).