N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C19H24N4O3S — CID 91819364

IUPACN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCn1nc2c(c1CNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CCC2
InChIInChI=1S/C19H24N4O3S/c1-22-18(16-5-4-6-17(16)21-22)13-20-19(24)14-7-9-15(10-8-14)27(25,26)23-11-2-3-12-23/h7-10H,2-6,11-13H2,1H3,(H,20,24)
InChIKeyIFGJRAJSGDFDDX-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.62
Rot. Bonds5

About N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 91819364) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID91819364
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCn1nc2c(c1CNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CCC2
InChIInChI=1S/C19H24N4O3S/c1-22-18(16-5-4-6-17(16)21-22)13-20-19(24)14-7-9-15(10-8-14)27(25,26)23-11-2-3-12-23/h7-10H,2-6,11-13H2,1H3,(H,20,24)
InChIKeyIFGJRAJSGDFDDX-UHFFFAOYSA-N
XLogP1.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide with MolForge

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Related Compounds

N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-[(1-methylimidazol-2-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 110446701
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 121122580
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55862319
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 47728452
4-methylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 78889639
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 71808611

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 91819364) is N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is Cn1nc2c(c1CNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CCC2.
What is the InChIKey of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is IFGJRAJSGDFDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-22-18(16-5-4-6-17(16)21-22)13-20-19(24)14-7-9-15(10-8-14)27(25,26)23-11-2-3-12-23/h7-10H,2-6,11-13H2,1H3,(H,20,24).
What are the key properties of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 91819364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).