3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide

C7H11N3O2S — CID 130652327

IUPAC3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide
SMILESCS(=O)CCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C7H11N3O2S/c1-13(12)5-3-7(11)9-6-2-4-8-10-6/h2,4H,3,5H2,1H3,(H2,8,9,10,11)
InChIKeyDRDPZHAXZBUWTG-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.12
Rot. Bonds4

About 3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide

3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 130652327) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide
PubChem CID130652327
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide
SMILESCS(=O)CCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C7H11N3O2S/c1-13(12)5-3-7(11)9-6-2-4-8-10-6/h2,4H,3,5H2,1H3,(H2,8,9,10,11)
InChIKeyDRDPZHAXZBUWTG-UHFFFAOYSA-N
XLogP0.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide (CID 130652327) is 3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide is CS(=O)CCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is DRDPZHAXZBUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-13(12)5-3-7(11)9-6-2-4-8-10-6/h2,4H,3,5H2,1H3,(H2,8,9,10,11).
What are the key properties of 3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide?
3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 201.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 130652327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).