[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol

C10H17N3O3S — CID 102784368

IUPAC[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C10H17N3O3S/c1-7-3-4-13(9(7)6-14)17(15,16)10-5-11-12-8(10)2/h5,7,9,14H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyURVCHAPMWGIXKI-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.11
Rot. Bonds3

About [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol (PubChem CID 102784368) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol
PubChem CID102784368
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C10H17N3O3S/c1-7-3-4-13(9(7)6-14)17(15,16)10-5-11-12-8(10)2/h5,7,9,14H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyURVCHAPMWGIXKI-UHFFFAOYSA-N
XLogP0.11
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60958991
2,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 55039995
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid
CID 102778284
[1-(4-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786207
[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786318
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
CID 62916778
2-[(2S,6R)-2,6-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanol
CID 146130516
[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]methanamine
CID 116640169
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778534
[1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781987
3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
CID 63601722
[1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 107326291

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol (CID 102784368) is [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol is Cc1[nH]ncc1S(=O)(=O)N1CCC(C)C1CO.
What is the InChIKey of [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol?
The InChIKey is URVCHAPMWGIXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7-3-4-13(9(7)6-14)17(15,16)10-5-11-12-8(10)2/h5,7,9,14H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol has a molecular weight of 259.33 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102784368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).