[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol

C11H20N4O3S — CID 102777074

IUPAC[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
SMILESCc1c(S(=O)(=O)N2CCC(C)C2CO)c(N)nn1C
InChIInChI=1S/C11H20N4O3S/c1-7-4-5-15(9(7)6-16)19(17,18)10-8(2)14(3)13-11(10)12/h7,9,16H,4-6H2,1-3H3,(H2,12,13)
InChIKeyVDUVRKQCKLCGQL-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.30
Rot. Bonds3

About [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol

[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777074) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777074
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
SMILESCc1c(S(=O)(=O)N2CCC(C)C2CO)c(N)nn1C
InChIInChI=1S/C11H20N4O3S/c1-7-4-5-15(9(7)6-16)19(17,18)10-8(2)14(3)13-11(10)12/h7,9,16H,4-6H2,1-3H3,(H2,12,13)
InChIKeyVDUVRKQCKLCGQL-UHFFFAOYSA-N
XLogP-0.30
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.30
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
3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 102631233
[3-Methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol
CID 102786396
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
4-(3-Methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 102955223
1-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355070
4-(3-Methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 103530214
3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 105357936
2-[1-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
CID 105358033

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol (CID 102777074) is [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol is Cc1c(S(=O)(=O)N2CCC(C)C2CO)c(N)nn1C.
What is the InChIKey of [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is VDUVRKQCKLCGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-7-4-5-15(9(7)6-16)19(17,18)10-8(2)14(3)13-11(10)12/h7,9,16H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 288.37 g/mol, XLogP of -0.30, 3 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-2-yl]methanol is sourced from PubChem (CID 102777074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).