[(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine

C11H20N4O2S — CID 125440989

IUPAC[(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCCn1nc(C)cc1S(=O)(=O)N1CC[C@H](CN)C1
InChIInChI=1S/C11H20N4O2S/c1-3-15-11(6-9(2)13-15)18(16,17)14-5-4-10(7-12)8-14/h6,10H,3-5,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyBVRSWWVFFZJDHH-SNVBAGLBSA-N
MW272.37 g/mol
LogP0.18
Rot. Bonds4

About [(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine

[(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 125440989) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is [(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID125440989
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name[(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCCn1nc(C)cc1S(=O)(=O)N1CC[C@H](CN)C1
InChIInChI=1S/C11H20N4O2S/c1-3-15-11(6-9(2)13-15)18(16,17)14-5-4-10(7-12)8-14/h6,10H,3-5,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyBVRSWWVFFZJDHH-SNVBAGLBSA-N
XLogP0.18
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methyl-1H-pyrazole-5-sulfonyl chloride
CID 50896562
5-[[2-Fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazole-3-sulfonamide
CID 137512632
1-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine
CID 170144107
1-(difluoromethyl)-5-methyl-N-[2-methyl-3-(5-methyl-1H-pyrazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 19614293
1-(difluoromethyl)-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19614842
1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 51853425
1-(difluoromethyl)-5-methyl-N-[(2S)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 51853426
1-(difluoromethyl)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 51853549
1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 51853550
1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-sulfonamide
CID 62408935
3-(Difluoromethyl)-1-ethylpyrazole-5-sulfonamide
CID 62890515
3-(Difluoromethyl)-1-propylpyrazole-5-sulfonamide
CID 62890516

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine (CID 125440989) is [(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine is CCn1nc(C)cc1S(=O)(=O)N1CC[C@H](CN)C1.
What is the InChIKey of [(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is BVRSWWVFFZJDHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-15-11(6-9(2)13-15)18(16,17)14-5-4-10(7-12)8-14/h6,10H,3-5,7-8,12H2,1-2H3/t10-/m1/s1.
What are the key properties of [(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine?
[(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 272.37 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 125440989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).