N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide

C10H18N4O3S — CID 131939244

IUPACN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide
SMILESCc1n[nH]c(C)c1C(C)NC(=O)CNS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-6(10-7(2)13-14-8(10)3)12-9(15)5-11-18(4,16)17/h6,11H,5H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyYKKLORQMNADXJQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.25
Rot. Bonds5

About N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide

N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide (PubChem CID 131939244) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide
PubChem CID131939244
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide
SMILESCc1n[nH]c(C)c1C(C)NC(=O)CNS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-6(10-7(2)13-14-8(10)3)12-9(15)5-11-18(4,16)17/h6,11H,5H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyYKKLORQMNADXJQ-UHFFFAOYSA-N
XLogP-0.25
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 77084684
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide
CID 86283950
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 138054926
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide
CID 126435534
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
CID 64975118
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 92633858
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide
CID 45193829
2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 99972786
N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide
CID 95296945
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 51467588
2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 75655752
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 169411291

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide (CID 131939244) is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide is Cc1n[nH]c(C)c1C(C)NC(=O)CNS(C)(=O)=O.
What is the InChIKey of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide?
The InChIKey is YKKLORQMNADXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-6(10-7(2)13-14-8(10)3)12-9(15)5-11-18(4,16)17/h6,11H,5H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide?
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide has a molecular weight of 274.35 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 131939244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).