3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide

C9H16N4O3S — CID 90647637

IUPAC3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESCN(Cc1ccn[nH]1)C(=O)CCNS(C)(=O)=O
InChIInChI=1S/C9H16N4O3S/c1-13(7-8-3-5-10-12-8)9(14)4-6-11-17(2,15)16/h3,5,11H,4,6-7H2,1-2H3,(H,10,12)
InChIKeyLMYMFXLTGHQWHY-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.69
Rot. Bonds6

About 3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide

3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 90647637) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID90647637
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESCN(Cc1ccn[nH]1)C(=O)CCNS(C)(=O)=O
InChIInChI=1S/C9H16N4O3S/c1-13(7-8-3-5-10-12-8)9(14)4-6-11-17(2,15)16/h3,5,11H,4,6-7H2,1-2H3,(H,10,12)
InChIKeyLMYMFXLTGHQWHY-UHFFFAOYSA-N
XLogP-0.69
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 90647637) is 3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide is CN(Cc1ccn[nH]1)C(=O)CCNS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is LMYMFXLTGHQWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-13(7-8-3-5-10-12-8)9(14)4-6-11-17(2,15)16/h3,5,11H,4,6-7H2,1-2H3,(H,10,12).
What are the key properties of 3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 260.32 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 90647637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).