3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide

C12H12ClN3OS — CID 43430717

IUPAC3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1cn[nH]c1
InChIInChI=1S/C12H12ClN3OS/c13-9-1-3-11(4-2-9)18-6-5-12(17)16-10-7-14-15-8-10/h1-4,7-8H,5-6H2,(H,14,15)(H,16,17)
InChIKeyYNKXAUCDZWSXCY-UHFFFAOYSA-N
MW281.77 g/mol
LogP3.18
Rot. Bonds5

About 3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 43430717) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
PubChem CID43430717
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1cn[nH]c1
InChIInChI=1S/C12H12ClN3OS/c13-9-1-3-11(4-2-9)18-6-5-12(17)16-10-7-14-15-8-10/h1-4,7-8H,5-6H2,(H,14,15)(H,16,17)
InChIKeyYNKXAUCDZWSXCY-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide
CID 43429344
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3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
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1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
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CID 95778337
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497
4-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)butanamide
CID 60549417
3-(4-chlorophenyl)sulfanyl-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 104817943
3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide
CID 51096700
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257472
5-bromo-N-(1H-pyrazol-4-yl)pentanamide
CID 107908291

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide (CID 43430717) is 3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide is O=C(CCSc1ccc(Cl)cc1)Nc1cn[nH]c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is YNKXAUCDZWSXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c13-9-1-3-11(4-2-9)18-6-5-12(17)16-10-7-14-15-8-10/h1-4,7-8H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 281.77 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 43430717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).