(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine

C10H17N3O2S — CID 95817352

IUPAC(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
SMILESCc1cn[nH]c1[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H17N3O2S/c1-8-6-11-12-10(8)9-4-3-5-13(7-9)16(2,14)15/h6,9H,3-5,7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyQMURIZZJLZRXKL-SECBINFHSA-N
MW243.33 g/mol
LogP0.86
Rot. Bonds2

About (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine

(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine (PubChem CID 95817352) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
PubChem CID95817352
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
SMILESCc1cn[nH]c1[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H17N3O2S/c1-8-6-11-12-10(8)9-4-3-5-13(7-9)16(2,14)15/h6,9H,3-5,7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyQMURIZZJLZRXKL-SECBINFHSA-N
XLogP0.86
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110257171
(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95824669
1-cyclohexyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110269139
5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
CID 124966701
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45178348
2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110254279
4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 125005055
(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 124956608
2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125024996
5-cycloundecyl-4-methyl-1H-pyrazole
CID 173176811
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
3-amino-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 171687293

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine?
The IUPAC name of (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine (CID 95817352) is (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine.
What is the SMILES notation for (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine?
The canonical SMILES for (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine is Cc1cn[nH]c1[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine?
The InChIKey is QMURIZZJLZRXKL-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-6-11-12-10(8)9-4-3-5-13(7-9)16(2,14)15/h6,9H,3-5,7H2,1-2H3,(H,11,12)/t9-/m1/s1.
What are the key properties of (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine?
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine has a molecular weight of 243.33 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 95817352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).