3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide

C12H12FN3OS — CID 60580111

IUPAC3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCSc1ccccc1F)Nc1ccn[nH]1
InChIInChI=1S/C12H12FN3OS/c13-9-3-1-2-4-10(9)18-8-6-12(17)15-11-5-7-14-16-11/h1-5,7H,6,8H2,(H2,14,15,16,17)
InChIKeyYQLYDPHBJFJCLN-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.67
Rot. Bonds5

About 3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide

3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 60580111) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide
PubChem CID60580111
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCSc1ccccc1F)Nc1ccn[nH]1
InChIInChI=1S/C12H12FN3OS/c13-9-3-1-2-4-10(9)18-8-6-12(17)15-11-5-7-14-16-11/h1-5,7H,6,8H2,(H2,14,15,16,17)
InChIKeyYQLYDPHBJFJCLN-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide
CID 61393999
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3-(2-fluorophenyl)sulfanylpropanehydrazide
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N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
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N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
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N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26721934
3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484
3-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 43417674
2-[[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43465386
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
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CID 119502265

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide (CID 60580111) is 3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide is O=C(CCSc1ccccc1F)Nc1ccn[nH]1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is YQLYDPHBJFJCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c13-9-3-1-2-4-10(9)18-8-6-12(17)15-11-5-7-14-16-11/h1-5,7H,6,8H2,(H2,14,15,16,17).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide?
3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 60580111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).