N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide

C12H22N4O3S — CID 71913890

IUPACN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide
SMILESCCS(=O)(=O)NCC(=O)Nc1cc(CC(C)(C)C)[nH]n1
InChIInChI=1S/C12H22N4O3S/c1-5-20(18,19)13-8-11(17)14-10-6-9(15-16-10)7-12(2,3)4/h6,13H,5,7-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyHNTZNIZPHWNBON-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.88
Rot. Bonds6

About N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide

N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide (PubChem CID 71913890) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide
PubChem CID71913890
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide
SMILESCCS(=O)(=O)NCC(=O)Nc1cc(CC(C)(C)C)[nH]n1
InChIInChI=1S/C12H22N4O3S/c1-5-20(18,19)13-8-11(17)14-10-6-9(15-16-10)7-12(2,3)4/h6,13H,5,7-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyHNTZNIZPHWNBON-UHFFFAOYSA-N
XLogP0.88
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide?
The IUPAC name of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide (CID 71913890) is N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide?
The canonical SMILES for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide is CCS(=O)(=O)NCC(=O)Nc1cc(CC(C)(C)C)[nH]n1.
What is the InChIKey of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide?
The InChIKey is HNTZNIZPHWNBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-5-20(18,19)13-8-11(17)14-10-6-9(15-16-10)7-12(2,3)4/h6,13H,5,7-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide?
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide has a molecular weight of 302.40 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-(ethylsulfonylamino)acetamide is sourced from PubChem (CID 71913890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).