N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide

C10H17N3O3S — CID 125437102

IUPACN-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide
SMILESCc1cnn([C@H](C)CNC(=O)CS(C)(=O)=O)c1
InChIInChI=1S/C10H17N3O3S/c1-8-4-12-13(6-8)9(2)5-11-10(14)7-17(3,15)16/h4,6,9H,5,7H2,1-3H3,(H,11,14)/t9-/m1/s1
InChIKeyFZFWTVGPXICKAP-SECBINFHSA-N
MW259.33 g/mol
LogP-0.09
Rot. Bonds5

About N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide

N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide (PubChem CID 125437102) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide
PubChem CID125437102
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide
SMILESCc1cnn([C@H](C)CNC(=O)CS(C)(=O)=O)c1
InChIInChI=1S/C10H17N3O3S/c1-8-4-12-13(6-8)9(2)5-11-10(14)7-17(3,15)16/h4,6,9H,5,7H2,1-3H3,(H,11,14)/t9-/m1/s1
InChIKeyFZFWTVGPXICKAP-SECBINFHSA-N
XLogP-0.09
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide (CID 125437102) is N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide is Cc1cnn([C@H](C)CNC(=O)CS(C)(=O)=O)c1.
What is the InChIKey of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide?
The InChIKey is FZFWTVGPXICKAP-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-8-4-12-13(6-8)9(2)5-11-10(14)7-17(3,15)16/h4,6,9H,5,7H2,1-3H3,(H,11,14)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide?
N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide has a molecular weight of 259.33 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide is sourced from PubChem (CID 125437102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).