N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide

C16H17F2N3OS — CID 8771027

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1F)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H17F2N3OS/c17-11-5-6-14(13(18)9-11)23-10-16(22)20-15-7-8-19-21(15)12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,20,22)
InChIKeyMSDWRIVDAFAGCV-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.01
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide

N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide (PubChem CID 8771027) has the molecular formula C16H17F2N3OS and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
PubChem CID8771027
Molecular FormulaC16H17F2N3OS
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1F)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H17F2N3OS/c17-11-5-6-14(13(18)9-11)23-10-16(22)20-15-7-8-19-21(15)12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,20,22)
InChIKeyMSDWRIVDAFAGCV-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide (CID 8771027) is N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1F)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The InChIKey is MSDWRIVDAFAGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c17-11-5-6-14(13(18)9-11)23-10-16(22)20-15-7-8-19-21(15)12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,20,22).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide has a molecular weight of 337.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 8771027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).