N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide

C17H24N4O3S — CID 122244472

IUPACN-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1nn(CCNC(=O)CN(C)S(C)(=O)=O)c(C)c1-c1ccccc1
InChIInChI=1S/C17H24N4O3S/c1-13-17(15-8-6-5-7-9-15)14(2)21(19-13)11-10-18-16(22)12-20(3)25(4,23)24/h5-9H,10-12H2,1-4H3,(H,18,22)
InChIKeyCKVUUAATGOEUSK-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.17
Rot. Bonds7

About N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 122244472) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID122244472
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1nn(CCNC(=O)CN(C)S(C)(=O)=O)c(C)c1-c1ccccc1
InChIInChI=1S/C17H24N4O3S/c1-13-17(15-8-6-5-7-9-15)14(2)21(19-13)11-10-18-16(22)12-20(3)25(4,23)24/h5-9H,10-12H2,1-4H3,(H,18,22)
InChIKeyCKVUUAATGOEUSK-UHFFFAOYSA-N
XLogP1.17
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 122244472) is N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide is Cc1nn(CCNC(=O)CN(C)S(C)(=O)=O)c(C)c1-c1ccccc1.
What is the InChIKey of N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is CKVUUAATGOEUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-13-17(15-8-6-5-7-9-15)14(2)21(19-13)11-10-18-16(22)12-20(3)25(4,23)24/h5-9H,10-12H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 364.47 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 122244472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).