N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide

C13H22N4O3S — CID 70780426

IUPACN-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCC(C)n1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cn1
InChIInChI=1S/C13H22N4O3S/c1-10(2)17-9-11(8-14-17)13(18)16-6-4-12(5-7-16)15-21(3,19)20/h8-10,12,15H,4-7H2,1-3H3
InChIKeyACIMOWSHAXOYFX-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.62
Rot. Bonds4

About N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 70780426) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID70780426
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCC(C)n1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cn1
InChIInChI=1S/C13H22N4O3S/c1-10(2)17-9-11(8-14-17)13(18)16-6-4-12(5-7-16)15-21(3,19)20/h8-10,12,15H,4-7H2,1-3H3
InChIKeyACIMOWSHAXOYFX-UHFFFAOYSA-N
XLogP0.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide (CID 70780426) is N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide is CC(C)n1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is ACIMOWSHAXOYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-10(2)17-9-11(8-14-17)13(18)16-6-4-12(5-7-16)15-21(3,19)20/h8-10,12,15H,4-7H2,1-3H3.
What are the key properties of N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 70780426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).