(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine

C9H15N3O2S — CID 92614938

IUPAC(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1CCCNC1
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)8-6-11-12-9(8)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyALXAFYVCKSKGSF-ZETCQYMHSA-N
MW229.30 g/mol
LogP0.28
Rot. Bonds2

About (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine

(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine (PubChem CID 92614938) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
PubChem CID92614938
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1CCCNC1
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)8-6-11-12-9(8)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyALXAFYVCKSKGSF-ZETCQYMHSA-N
XLogP0.28
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 96623523
5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride
CID 126780501
3-(2-methylsulfonylphenyl)piperidine
CID 82388241
(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 124956608
2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110269018
3-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 82380463
4-methylsulfonyl-5-[(3S)-1-pentan-3-ylpyrrolidin-3-yl]-1H-pyrazole
CID 125006037
5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124641326
(5-methylpyrazin-2-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95829703
5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 125025175
5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
CID 110106115
3-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386774

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine (CID 92614938) is (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine is CS(=O)(=O)c1cn[nH]c1[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is ALXAFYVCKSKGSF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-15(13,14)8-6-11-12-9(8)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 229.30 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 92614938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).