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

C11H19N5O3S — CID 62101058

IUPAC2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C11H19N5O3S/c1-20(18,19)16-6-2-9(3-7-16)13-11(17)8-15-5-4-10(12)14-15/h4-5,9H,2-3,6-8H2,1H3,(H2,12,14)(H,13,17)
InChIKeyIVHBNAUNBRWUPL-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.99
Rot. Bonds4

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

2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 62101058) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID62101058
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C11H19N5O3S/c1-20(18,19)16-6-2-9(3-7-16)13-11(17)8-15-5-4-10(12)14-15/h4-5,9H,2-3,6-8H2,1H3,(H2,12,14)(H,13,17)
InChIKeyIVHBNAUNBRWUPL-UHFFFAOYSA-N
XLogP-0.99
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 62101058) is 2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is CS(=O)(=O)N1CCC(NC(=O)Cn2ccc(N)n2)CC1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is IVHBNAUNBRWUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-20(18,19)16-6-2-9(3-7-16)13-11(17)8-15-5-4-10(12)14-15/h4-5,9H,2-3,6-8H2,1H3,(H2,12,14)(H,13,17).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 301.37 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 62101058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).