3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide

C12H13N3OS — CID 61393999

IUPAC3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCSc1ccccc1)Nc1ccn[nH]1
InChIInChI=1S/C12H13N3OS/c16-12(14-11-6-8-13-15-11)7-9-17-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H2,13,14,15,16)
InChIKeyNXJCRWMCDKCKEA-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.53
Rot. Bonds5

About 3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide

3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 61393999) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide
PubChem CID61393999
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCSc1ccccc1)Nc1ccn[nH]1
InChIInChI=1S/C12H13N3OS/c16-12(14-11-6-8-13-15-11)7-9-17-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H2,13,14,15,16)
InChIKeyNXJCRWMCDKCKEA-UHFFFAOYSA-N
XLogP2.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide
CID 60580111
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
CID 104619671
3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393959
1,5-bis(phenylsulfanyl)pentan-3-one
CID 14244732
3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide
CID 130652327
3-acetamido-N-(1H-pyrazol-5-yl)propanamide
CID 61393399
N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 23804504
2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid
CID 61393398
2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide
CID 84551771

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide (CID 61393999) is 3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide is O=C(CCSc1ccccc1)Nc1ccn[nH]1.
What is the InChIKey of 3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is NXJCRWMCDKCKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c16-12(14-11-6-8-13-15-11)7-9-17-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H2,13,14,15,16).
What are the key properties of 3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide?
3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 247.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 61393999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).