3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide

C14H24N4O3S — CID 131941530

IUPAC3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
SMILESCc1cnn(CCC(=O)NCC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H24N4O3S/c1-12-9-16-17(11-12)6-5-14(19)15-10-13-3-7-18(8-4-13)22(2,20)21/h9,11,13H,3-8,10H2,1-2H3,(H,15,19)
InChIKeyGFJKWMJIJSLMKN-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.37
Rot. Bonds6

About 3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide

3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide (PubChem CID 131941530) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
PubChem CID131941530
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
SMILESCc1cnn(CCC(=O)NCC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H24N4O3S/c1-12-9-16-17(11-12)6-5-14(19)15-10-13-3-7-18(8-4-13)22(2,20)21/h9,11,13H,3-8,10H2,1-2H3,(H,15,19)
InChIKeyGFJKWMJIJSLMKN-UHFFFAOYSA-N
XLogP0.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 71880008
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide
CID 131890431
N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 131907519
2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
CID 110736272
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110736265
1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106
1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 71806786
1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea
CID 4775106
N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 47347568

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide (CID 131941530) is 3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide is Cc1cnn(CCC(=O)NCC2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide?
The InChIKey is GFJKWMJIJSLMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-12-9-16-17(11-12)6-5-14(19)15-10-13-3-7-18(8-4-13)22(2,20)21/h9,11,13H,3-8,10H2,1-2H3,(H,15,19).
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide?
3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide has a molecular weight of 328.44 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 131941530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).