3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C14H16FN3OS — CID 103855886

IUPAC3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CCSc1ccc(F)cc1)c1cn[nH]c1
InChIInChI=1S/C14H16FN3OS/c1-10(11-8-16-17-9-11)18-14(19)6-7-20-13-4-2-12(15)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyKDGADGWTPROZOP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.91
Rot. Bonds6

About 3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 103855886) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID103855886
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CCSc1ccc(F)cc1)c1cn[nH]c1
InChIInChI=1S/C14H16FN3OS/c1-10(11-8-16-17-9-11)18-14(19)6-7-20-13-4-2-12(15)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyKDGADGWTPROZOP-UHFFFAOYSA-N
XLogP2.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856287
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94811265
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 42976650
2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856634
3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide
CID 47098774
3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920317
3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856001
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
ethyl (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 94194015
2-(2,4-difluorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856075
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 103855886) is 3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is CC(NC(=O)CCSc1ccc(F)cc1)c1cn[nH]c1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is KDGADGWTPROZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-10(11-8-16-17-9-11)18-14(19)6-7-20-13-4-2-12(15)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103855886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).