1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide

C11H18N4O3S — CID 47909450

IUPAC1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C11H18N4O3S/c1-14-7-9(6-12-14)11(16)13-10-4-3-5-15(8-10)19(2,17)18/h6-7,10H,3-5,8H2,1-2H3,(H,13,16)
InChIKeyLQPILUVNZVJJPO-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.43
Rot. Bonds3

About 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide

1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide (PubChem CID 47909450) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide
PubChem CID47909450
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C11H18N4O3S/c1-14-7-9(6-12-14)11(16)13-10-4-3-5-15(8-10)19(2,17)18/h6-7,10H,3-5,8H2,1-2H3,(H,13,16)
InChIKeyLQPILUVNZVJJPO-UHFFFAOYSA-N
XLogP-0.43
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide (CID 47909450) is 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)cn1.
What is the InChIKey of 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is LQPILUVNZVJJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-14-7-9(6-12-14)11(16)13-10-4-3-5-15(8-10)19(2,17)18/h6-7,10H,3-5,8H2,1-2H3,(H,13,16).
What are the key properties of 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide?
1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 47909450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).