2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide

C16H19FN4O2S — CID 167761102

IUPAC2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C16H19FN4O2S/c17-12-5-7-13(8-6-12)21-16-4-1-3-14(16)15(19-21)11-20-10-2-9-18-24(20,22)23/h5-8,18H,1-4,9-11H2
InChIKeyCWGJYVKOZKJMMZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.54
Rot. Bonds3

About 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide

2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 167761102) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID167761102
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C16H19FN4O2S/c17-12-5-7-13(8-6-12)21-16-4-1-3-14(16)15(19-21)11-20-10-2-9-18-24(20,22)23/h5-8,18H,1-4,9-11H2
InChIKeyCWGJYVKOZKJMMZ-UHFFFAOYSA-N
XLogP1.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909078
3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 155957185
[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl 3-(hydroxymethyl)benzoate
CID 71884376
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate
CID 51130787
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-4-nitroisoindole-1,3-dione
CID 52766928
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide
CID 126790563
N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 71879525
4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one
CID 25470523
2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,5,2-oxathiazepane 5,5-dioxide
CID 167941623
N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 166232098
1-(4-fluorophenyl)-3-[(1-methylimidazol-2-yl)sulfanylmethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 60591961

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 167761102) is 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)NCCCN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is CWGJYVKOZKJMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c17-12-5-7-13(8-6-12)21-16-4-1-3-14(16)15(19-21)11-20-10-2-9-18-24(20,22)23/h5-8,18H,1-4,9-11H2.
What are the key properties of 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 350.42 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 167761102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).