N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide

C12H20N4O3S — CID 47025765

IUPACN-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(C)n1
InChIInChI=1S/C12H20N4O3S/c1-9-8-11(15(2)14-9)13-12(17)10-4-6-16(7-5-10)20(3,18)19/h8,10H,4-7H2,1-3H3,(H,13,17)
InChIKeyGUTIKXSBGAGNRT-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.34
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 47025765) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID47025765
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(C)n1
InChIInChI=1S/C12H20N4O3S/c1-9-8-11(15(2)14-9)13-12(17)10-4-6-16(7-5-10)20(3,18)19/h8,10H,4-7H2,1-3H3,(H,13,17)
InChIKeyGUTIKXSBGAGNRT-UHFFFAOYSA-N
XLogP0.34
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
CID 55601726
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 74908550
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 136636536
N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19399779
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 51334705
9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985577
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 42109687
N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17469903
methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate
CID 19342316
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122292433

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide (CID 47025765) is N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is GUTIKXSBGAGNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9-8-11(15(2)14-9)13-12(17)10-4-6-16(7-5-10)20(3,18)19/h8,10H,4-7H2,1-3H3,(H,13,17).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 47025765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).