3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide

C14H16ClN3OS — CID 115776629

IUPAC3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
SMILESCCc1cc(NC(=O)CCSc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C14H16ClN3OS/c1-2-11-9-13(18-17-11)16-14(19)7-8-20-12-5-3-10(15)4-6-12/h3-6,9H,2,7-8H2,1H3,(H2,16,17,18,19)
InChIKeyZGLWBZOAAMKZFX-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.75
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide (PubChem CID 115776629) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
PubChem CID115776629
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
SMILESCCc1cc(NC(=O)CCSc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C14H16ClN3OS/c1-2-11-9-13(18-17-11)16-14(19)7-8-20-12-5-3-10(15)4-6-12/h3-6,9H,2,7-8H2,1H3,(H2,16,17,18,19)
InChIKeyZGLWBZOAAMKZFX-UHFFFAOYSA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
CID 104619671
3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115776624
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 115593810
3-(4-chlorophenyl)sulfanyl-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 104817943
3-(4-chlorophenyl)sulfanyl-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 17257510
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
3-(4-methylphenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 104619798
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963
2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 112698162
2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621102
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 103209298

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide (CID 115776629) is 3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide is CCc1cc(NC(=O)CCSc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is ZGLWBZOAAMKZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-2-11-9-13(18-17-11)16-14(19)7-8-20-12-5-3-10(15)4-6-12/h3-6,9H,2,7-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 309.82 g/mol, XLogP of 3.75, 6 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-(5-ethyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 115776629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).