2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide

C14H23N3OS — CID 91843642

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)N(C)C2CCSCC2)n1
InChIInChI=1S/C14H23N3OS/c1-10-9-11(2)17(15-10)12(3)14(18)16(4)13-5-7-19-8-6-13/h9,12-13H,5-8H2,1-4H3
InChIKeySUWTXRKINYNOPG-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.41
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide (PubChem CID 91843642) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide
PubChem CID91843642
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)N(C)C2CCSCC2)n1
InChIInChI=1S/C14H23N3OS/c1-10-9-11(2)17(15-10)12(3)14(18)16(4)13-5-7-19-8-6-13/h9,12-13H,5-8H2,1-4H3
InChIKeySUWTXRKINYNOPG-UHFFFAOYSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide (CID 91843642) is 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide is Cc1cc(C)n(C(C)C(=O)N(C)C2CCSCC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide?
The InChIKey is SUWTXRKINYNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-9-11(2)17(15-10)12(3)14(18)16(4)13-5-7-19-8-6-13/h9,12-13H,5-8H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide has a molecular weight of 281.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide is sourced from PubChem (CID 91843642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).