[(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone

C17H22N4O3S — CID 124575218

IUPAC[(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3S(C)(=O)=O)c2)C1
InChIInChI=1S/C17H22N4O3S/c1-18-14-6-5-9-20(12-14)17(22)13-10-19-21(11-13)15-7-3-4-8-16(15)25(2,23)24/h3-4,7-8,10-11,14,18H,5-6,9,12H2,1-2H3/t14-/m0/s1
InChIKeyWUPGUMYVFKXHPH-AWEZNQCLSA-N
MW362.46 g/mol
LogP1.10
Rot. Bonds4

About [(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone

[(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone (PubChem CID 124575218) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is [(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone
PubChem CID124575218
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name[(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3S(C)(=O)=O)c2)C1
InChIInChI=1S/C17H22N4O3S/c1-18-14-6-5-9-20(12-14)17(22)13-10-19-21(11-13)15-7-3-4-8-16(15)25(2,23)24/h3-4,7-8,10-11,14,18H,5-6,9,12H2,1-2H3/t14-/m0/s1
InChIKeyWUPGUMYVFKXHPH-AWEZNQCLSA-N
XLogP1.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone with MolForge

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Related Compounds

[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone
CID 124592612
(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489971
[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 124593909
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 56782059
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119488373
[3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone
CID 119491898
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97280069
5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
CID 119493800
2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119492236

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone?
The IUPAC name of [(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone (CID 124575218) is [(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone is CN[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3S(C)(=O)=O)c2)C1.
What is the InChIKey of [(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone?
The InChIKey is WUPGUMYVFKXHPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-18-14-6-5-9-20(12-14)17(22)13-10-19-21(11-13)15-7-3-4-8-16(15)25(2,23)24/h3-4,7-8,10-11,14,18H,5-6,9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone?
[(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone has a molecular weight of 362.46 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 124575218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).