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

C12H20N4O2S — CID 91819430

IUPACN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCn1nc2c(c1CNS(=O)(=O)N1CCCC1)CCC2
InChIInChI=1S/C12H20N4O2S/c1-15-12(10-5-4-6-11(10)14-15)9-13-19(17,18)16-7-2-3-8-16/h13H,2-9H2,1H3
InChIKeyAFQQPMPJLPVCDP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.34
Rot. Bonds4

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

N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 91819430) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide
PubChem CID91819430
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCn1nc2c(c1CNS(=O)(=O)N1CCCC1)CCC2
InChIInChI=1S/C12H20N4O2S/c1-15-12(10-5-4-6-11(10)14-15)9-13-19(17,18)16-7-2-3-8-16/h13H,2-9H2,1H3
InChIKeyAFQQPMPJLPVCDP-UHFFFAOYSA-N
XLogP0.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide (CID 91819430) is N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide is Cn1nc2c(c1CNS(=O)(=O)N1CCCC1)CCC2.
What is the InChIKey of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is AFQQPMPJLPVCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-15-12(10-5-4-6-11(10)14-15)9-13-19(17,18)16-7-2-3-8-16/h13H,2-9H2,1H3.
What are the key properties of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 91819430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).