[(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol

C14H25N3O3S — CID 129002000

IUPAC[(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1C[C@@H](CO)[C@H](C)C1
InChIInChI=1S/C14H25N3O3S/c1-5-12-14(13(6-2)16(4)15-12)21(19,20)17-7-10(3)11(8-17)9-18/h10-11,18H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyURJNGSQFOJHKNF-MNOVXSKESA-N
MW315.44 g/mol
LogP0.79
Rot. Bonds5

About [(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol

[(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol (PubChem CID 129002000) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is [(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
PubChem CID129002000
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name[(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1C[C@@H](CO)[C@H](C)C1
InChIInChI=1S/C14H25N3O3S/c1-5-12-14(13(6-2)16(4)15-12)21(19,20)17-7-10(3)11(8-17)9-18/h10-11,18H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyURJNGSQFOJHKNF-MNOVXSKESA-N
XLogP0.79
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 128993133
4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 75496307
(1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
CID 97245691
3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128970089
[(3S,4S)-1-(4-ethoxyphenyl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
CID 129003855
3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide
CID 75454035
2-[(3S,4S)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 129004156
N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide
CID 154789620
N-(1-aminopropan-2-yl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide
CID 86784633
3-[(3S,4S)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]sulfonyl-4-methylbenzonitrile
CID 129001420
[(3S,4S)-1-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
CID 129001945
[(3S,4S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-4-methylpyrrolidin-3-yl]methanol
CID 129004172

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol (CID 129002000) is [(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol is CCc1nn(C)c(CC)c1S(=O)(=O)N1C[C@@H](CO)[C@H](C)C1.
What is the InChIKey of [(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol?
The InChIKey is URJNGSQFOJHKNF-MNOVXSKESA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-5-12-14(13(6-2)16(4)15-12)21(19,20)17-7-10(3)11(8-17)9-18/h10-11,18H,5-9H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of [(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol?
[(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol has a molecular weight of 315.44 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 129002000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).