2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide

C11H21N5O3S — CID 61139822

IUPAC2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
SMILESCCN(CCCNC(=O)Cn1cc(N)cn1)S(C)(=O)=O
InChIInChI=1S/C11H21N5O3S/c1-3-16(20(2,18)19)6-4-5-13-11(17)9-15-8-10(12)7-14-15/h7-8H,3-6,9,12H2,1-2H3,(H,13,17)
InChIKeyWIJBQBQFHJNAMN-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.75
Rot. Bonds8

About 2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide (PubChem CID 61139822) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
PubChem CID61139822
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
SMILESCCN(CCCNC(=O)Cn1cc(N)cn1)S(C)(=O)=O
InChIInChI=1S/C11H21N5O3S/c1-3-16(20(2,18)19)6-4-5-13-11(17)9-15-8-10(12)7-14-15/h7-8H,3-6,9,12H2,1-2H3,(H,13,17)
InChIKeyWIJBQBQFHJNAMN-UHFFFAOYSA-N
XLogP-0.75
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide
CID 114174718
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 61102926
tert-butyl N-[3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]propyl]carbamate
CID 114517811
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-methylsulfonylacetamide
CID 115319573
2-(4-aminopyrazol-1-yl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 62843765
4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 63103781
2-(4-aminopyrazol-1-yl)-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 43445359
2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate
CID 83201957
2-(4-aminopyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 43185729
N-butyl-2-(4-methylpyrazol-1-yl)acetamide
CID 19526650

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide (CID 61139822) is 2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide is CCN(CCCNC(=O)Cn1cc(N)cn1)S(C)(=O)=O.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
The InChIKey is WIJBQBQFHJNAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-3-16(20(2,18)19)6-4-5-13-11(17)9-15-8-10(12)7-14-15/h7-8H,3-6,9,12H2,1-2H3,(H,13,17).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of -0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide is sourced from PubChem (CID 61139822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).