N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide

C14H17N3OS — CID 45284564

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide
SMILESCc1cc(NC(=O)CCSc2ccccc2)n(C)n1
InChIInChI=1S/C14H17N3OS/c1-11-10-13(17(2)16-11)15-14(18)8-9-19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyNGNXKRZFZPHSGJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.85
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide

N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide (PubChem CID 45284564) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide
PubChem CID45284564
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide
SMILESCc1cc(NC(=O)CCSc2ccccc2)n(C)n1
InChIInChI=1S/C14H17N3OS/c1-11-10-13(17(2)16-11)15-14(18)8-9-19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyNGNXKRZFZPHSGJ-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide (CID 45284564) is N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide is Cc1cc(NC(=O)CCSc2ccccc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide?
The InChIKey is NGNXKRZFZPHSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-11-10-13(17(2)16-11)15-14(18)8-9-19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide?
N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide has a molecular weight of 275.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 45284564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).