1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol

C10H18N4O3S — CID 103355070

IUPAC1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCc1c(S(=O)(=O)N2CCC(C)(O)C2)c(N)nn1C
InChIInChI=1S/C10H18N4O3S/c1-7-8(9(11)12-13(7)3)18(16,17)14-5-4-10(2,15)6-14/h15H,4-6H2,1-3H3,(H2,11,12)
InChIKeyOOCXAADEGFLVKK-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.54
Rot. Bonds2

About 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol

1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 103355070) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol
PubChem CID103355070
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCc1c(S(=O)(=O)N2CCC(C)(O)C2)c(N)nn1C
InChIInChI=1S/C10H18N4O3S/c1-7-8(9(11)12-13(7)3)18(16,17)14-5-4-10(2,15)6-14/h15H,4-6H2,1-3H3,(H2,11,12)
InChIKeyOOCXAADEGFLVKK-UHFFFAOYSA-N
XLogP-0.54
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-hydroxyethyl)-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358606
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 107478051
1,5-Dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine
CID 102742714
[1-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102777074
3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 102859017
3-amino-N-cyclobutyl-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 102859130
1-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperidin-3-ol
CID 102955129
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 102990969
4-(3-Methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 103530214
4-(3,4-Dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 103530303
3-Methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 103871582
1,5-Dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine
CID 105357874

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol (CID 103355070) is 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol is Cc1c(S(=O)(=O)N2CCC(C)(O)C2)c(N)nn1C.
What is the InChIKey of 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is OOCXAADEGFLVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7-8(9(11)12-13(7)3)18(16,17)14-5-4-10(2,15)6-14/h15H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol?
1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 274.35 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).