N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide

C17H15N3OS — CID 46171821

IUPACN-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H15N3OS/c21-17(13-22-15-9-5-2-6-10-15)18-16-11-12-20(19-16)14-7-3-1-4-8-14/h1-12H,13H2,(H,18,19,21)
InChIKeyOLNCVAGHSJHNBN-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.60
Rot. Bonds5

About N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide

N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide (PubChem CID 46171821) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide
PubChem CID46171821
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H15N3OS/c21-17(13-22-15-9-5-2-6-10-15)18-16-11-12-20(19-16)14-7-3-1-4-8-14/h1-12H,13H2,(H,18,19,21)
InChIKeyOLNCVAGHSJHNBN-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide (CID 46171821) is N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide?
The InChIKey is OLNCVAGHSJHNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-17(13-22-15-9-5-2-6-10-15)18-16-11-12-20(19-16)14-7-3-1-4-8-14/h1-12H,13H2,(H,18,19,21).
What are the key properties of N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide?
N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide has a molecular weight of 309.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 46171821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).