N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide

C14H17N3OS — CID 104619671

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
SMILESCCc1cc(NC(=O)CCSc2ccccc2)n[nH]1
InChIInChI=1S/C14H17N3OS/c1-2-11-10-13(17-16-11)15-14(18)8-9-19-12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyAERRNGOIQXIRCC-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.09
Rot. Bonds6

About N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide

N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide (PubChem CID 104619671) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
PubChem CID104619671
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
SMILESCCc1cc(NC(=O)CCSc2ccccc2)n[nH]1
InChIInChI=1S/C14H17N3OS/c1-2-11-10-13(17-16-11)15-14(18)8-9-19-12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyAERRNGOIQXIRCC-UHFFFAOYSA-N
XLogP3.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 115776629
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 115593810
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide
CID 48507728
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 23804504
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 113229818
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylpropanamide
CID 104618025
3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide
CID 61393999
3-(4-methylphenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 104619798

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide (CID 104619671) is N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide is CCc1cc(NC(=O)CCSc2ccccc2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide?
The InChIKey is AERRNGOIQXIRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-11-10-13(17-16-11)15-14(18)8-9-19-12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide?
N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide has a molecular weight of 275.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 104619671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).