N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

C17H24N4O3S2 — CID 72880497

IUPACN-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C17H24N4O3S2/c1-4-6-12-10-21(11-14(12)19-26(3,23)24)17(22)13-9-15(20(2)18-13)16-7-5-8-25-16/h5,7-9,12,14,19H,4,6,10-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyRPVGMNWMYJEQFP-TZMCWYRMSA-N
MW396.54 g/mol
LogP1.94
Rot. Bonds6

About N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 72880497) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID72880497
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C17H24N4O3S2/c1-4-6-12-10-21(11-14(12)19-26(3,23)24)17(22)13-9-15(20(2)18-13)16-7-5-8-25-16/h5,7-9,12,14,19H,4,6,10-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyRPVGMNWMYJEQFP-TZMCWYRMSA-N
XLogP1.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)thiophen-3-yl]pyrazole-3-carboxamide
CID 129226880
N-({1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl}methyl)-2-thiophenesulfonamide
CID 16189525
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 16250091
N-[(3R,5S)-1-(1-benzothiophene-5-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76314532
N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 129226288
US9156811, Ddd73238
CID 58561386
N-{2-[2-(4-Fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-5-methylthiophene-2-carboxamide
CID 91892644
N-({1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}methyl)thiophene-2-sulfonamide
CID 16187961
N-ethyl-N-[2-(4-methylphenyl)sulfonylethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
CID 2819955
N-(3-methyl-1,1-dioxothiolan-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24979634
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42285750

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 72880497) is N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is RPVGMNWMYJEQFP-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-4-6-12-10-21(11-14(12)19-26(3,23)24)17(22)13-9-15(20(2)18-13)16-7-5-8-25-16/h5,7-9,12,14,19H,4,6,10-11H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 396.54 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72880497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).