N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide

C17H24N4O2S — CID 99627695

IUPACN-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H24N4O2S/c1-3-24(22,23)19-17-14(2)11-18-21(17)16-9-10-20(13-16)12-15-7-5-4-6-8-15/h4-8,11,16,19H,3,9-10,12-13H2,1-2H3/t16-/m1/s1
InChIKeyWFAMSSCPSXHRKD-MRXNPFEDSA-N
MW348.47 g/mol
LogP2.40
Rot. Bonds6

About N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide

N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide (PubChem CID 99627695) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide
PubChem CID99627695
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H24N4O2S/c1-3-24(22,23)19-17-14(2)11-18-21(17)16-9-10-20(13-16)12-15-7-5-4-6-8-15/h4-8,11,16,19H,3,9-10,12-13H2,1-2H3/t16-/m1/s1
InChIKeyWFAMSSCPSXHRKD-MRXNPFEDSA-N
XLogP2.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]ethanesulfonamide
CID 86799085
N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide
CID 97073584
N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride
CID 120705203
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole
CID 10409736
2-(1-benzylpiperidin-4-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide
CID 134708490
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate
CID 160510885
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-3-ethylpyrrolidine
CID 12648208
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
CID 130775574

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide (CID 99627695) is N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide is CCS(=O)(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide?
The InChIKey is WFAMSSCPSXHRKD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-24(22,23)19-17-14(2)11-18-21(17)16-9-10-20(13-16)12-15-7-5-4-6-8-15/h4-8,11,16,19H,3,9-10,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide?
N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide is sourced from PubChem (CID 99627695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).