2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide

C16H18FN3O3S — CID 126790563

IUPAC2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)Cc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C16H18FN3O3S/c1-10(16(18)21)24(22,23)9-14-13-3-2-4-15(13)20(19-14)12-7-5-11(17)6-8-12/h5-8,10H,2-4,9H2,1H3,(H2,18,21)
InChIKeyKBWYXXZEEHYMAU-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.29
Rot. Bonds5

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

2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide (PubChem CID 126790563) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide
PubChem CID126790563
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)Cc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C16H18FN3O3S/c1-10(16(18)21)24(22,23)9-14-13-3-2-4-15(13)20(19-14)12-7-5-11(17)6-8-12/h5-8,10H,2-4,9H2,1H3,(H2,18,21)
InChIKeyKBWYXXZEEHYMAU-UHFFFAOYSA-N
XLogP1.29
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 155957185
(1-amino-1-oxopropan-2-yl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 42886721
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 16603476
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
1-(4-fluorophenyl)-N-pentan-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17499040
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16601210
methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate
CID 51130787
1-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24660925
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30480120
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl 3-(hydroxymethyl)benzoate
CID 71884376
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]acetic acid
CID 119172389

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide?
The IUPAC name of 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide (CID 126790563) is 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide is CC(C(N)=O)S(=O)(=O)Cc1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide?
The InChIKey is KBWYXXZEEHYMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-10(16(18)21)24(22,23)9-14-13-3-2-4-15(13)20(19-14)12-7-5-11(17)6-8-12/h5-8,10H,2-4,9H2,1H3,(H2,18,21).
What are the key properties of 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide?
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide has a molecular weight of 351.40 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]methylsulfonyl]propanamide is sourced from PubChem (CID 126790563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).