N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide

C16H27N3O3S — CID 91662716

IUPACN-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)NS(=O)(=O)CC1CCCC1
InChIInChI=1S/C16H27N3O3S/c1-4-14-13(15(5-2)19(3)17-14)10-16(20)18-23(21,22)11-12-8-6-7-9-12/h12H,4-11H2,1-3H3,(H,18,20)
InChIKeyXZMYFKOHCGGQIG-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.72
Rot. Bonds7

About N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide

N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide (PubChem CID 91662716) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide
PubChem CID91662716
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)NS(=O)(=O)CC1CCCC1
InChIInChI=1S/C16H27N3O3S/c1-4-14-13(15(5-2)19(3)17-14)10-16(20)18-23(21,22)11-12-8-6-7-9-12/h12H,4-11H2,1-3H3,(H,18,20)
InChIKeyXZMYFKOHCGGQIG-UHFFFAOYSA-N
XLogP1.72
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide (CID 91662716) is N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide is CCc1nn(C)c(CC)c1CC(=O)NS(=O)(=O)CC1CCCC1.
What is the InChIKey of N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide?
The InChIKey is XZMYFKOHCGGQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-4-14-13(15(5-2)19(3)17-14)10-16(20)18-23(21,22)11-12-8-6-7-9-12/h12H,4-11H2,1-3H3,(H,18,20).
What are the key properties of N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide?
N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 91662716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).