2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide

C11H10FN3OS — CID 43429344

IUPAC2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cn[nH]c1
InChIInChI=1S/C11H10FN3OS/c12-8-1-3-10(4-2-8)17-7-11(16)15-9-5-13-14-6-9/h1-6H,7H2,(H,13,14)(H,15,16)
InChIKeyKRWCLXSLOHKIQQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.28
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43429344) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43429344
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cn[nH]c1
InChIInChI=1S/C11H10FN3OS/c12-8-1-3-10(4-2-8)17-7-11(16)15-9-5-13-14-6-9/h1-6H,7H2,(H,13,14)(H,15,16)
InChIKeyKRWCLXSLOHKIQQ-UHFFFAOYSA-N
XLogP2.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
CID 43430717
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369356
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712820
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421
2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38033659
2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide
CID 18152531
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 972558

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide (CID 43429344) is 2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide is O=C(CSc1ccc(F)cc1)Nc1cn[nH]c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is KRWCLXSLOHKIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c12-8-1-3-10(4-2-8)17-7-11(16)15-9-5-13-14-6-9/h1-6H,7H2,(H,13,14)(H,15,16).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 251.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43429344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).