2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide

C12H20N4O3S — CID 47405076

IUPAC2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
SMILESCc1cnn(CC(=O)NC2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C12H20N4O3S/c1-10-6-13-15(7-10)9-12(17)14-11-4-3-5-16(8-11)20(2,18)19/h6-7,11H,3-5,8-9H2,1-2H3,(H,14,17)
InChIKeyGCMXNJFPJFPOLC-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.27
Rot. Bonds4

About 2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide

2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide (PubChem CID 47405076) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
PubChem CID47405076
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
SMILESCc1cnn(CC(=O)NC2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C12H20N4O3S/c1-10-6-13-15(7-10)9-12(17)14-11-4-3-5-16(8-11)20(2,18)19/h6-7,11H,3-5,8-9H2,1-2H3,(H,14,17)
InChIKeyGCMXNJFPJFPOLC-UHFFFAOYSA-N
XLogP-0.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]methanesulfonamide
CID 53515622
N-[3-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53566932
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 53608327
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53623783
N-{1-[2-methyl-3-(1H-pyrazol-1-yl)propanoyl]-4-piperidinyl}methanesulfonamide
CID 70773667
N-(1-cyclopropylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 72141841
N-[1-(methylsulfonyl)-4-piperidinyl]-2-(1H-pyrazol-1-yl)butanamide
CID 72847015
N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
CID 75428135
N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 91920924
5-[2-(4-Methylpyrazol-1-yl)acetyl]-1,5-diazacycloundecan-2-one
CID 110201429
N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196186
1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 28731287

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide (CID 47405076) is 2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide is Cc1cnn(CC(=O)NC2CCCN(S(C)(=O)=O)C2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The InChIKey is GCMXNJFPJFPOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-10-6-13-15(7-10)9-12(17)14-11-4-3-5-16(8-11)20(2,18)19/h6-7,11H,3-5,8-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide has a molecular weight of 300.38 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide is sourced from PubChem (CID 47405076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).