(3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol

C8H13N3O3S — CID 165471765

IUPAC(3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol
SMILESCS(=O)(=O)c1cnn([C@@H]2CNC[C@H]2O)c1
InChIInChI=1S/C8H13N3O3S/c1-15(13,14)6-2-10-11(5-6)7-3-9-4-8(7)12/h2,5,7-9,12H,3-4H2,1H3/t7-,8-/m1/s1
InChIKeyLRHHSWQMGDYEND-HTQZYQBOSA-N
MW231.28 g/mol
LogP-1.21
Rot. Bonds2

About (3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol

(3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol (PubChem CID 165471765) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is (3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol
PubChem CID165471765
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name(3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol
SMILESCS(=O)(=O)c1cnn([C@@H]2CNC[C@H]2O)c1
InChIInChI=1S/C8H13N3O3S/c1-15(13,14)6-2-10-11(5-6)7-3-9-4-8(7)12/h2,5,7-9,12H,3-4H2,1H3/t7-,8-/m1/s1
InChIKeyLRHHSWQMGDYEND-HTQZYQBOSA-N
XLogP-1.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-nitropyrazol-1-yl)pyrrolidin-3-ol
CID 63705005
4-(4-methylsulfonylpyrazol-1-yl)azepane
CID 165477573
2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine
CID 165480123
2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine
CID 165473031
1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol
CID 165480160
4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol
CID 165480041
4-methylsulfonyl-1-[3-(oxiran-2-yl)propyl]pyrazole
CID 165481225
(4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine
CID 66693955
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165478113
1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine
CID 165471759

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol (CID 165471765) is (3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol is CS(=O)(=O)c1cnn([C@@H]2CNC[C@H]2O)c1.
What is the InChIKey of (3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol?
The InChIKey is LRHHSWQMGDYEND-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-15(13,14)6-2-10-11(5-6)7-3-9-4-8(7)12/h2,5,7-9,12H,3-4H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol?
(3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol has a molecular weight of 231.28 g/mol, XLogP of -1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 165471765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).