N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide

C15H19N3OS — CID 75372358

IUPACN-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
SMILESCSCC(NC(=O)C(C)n1cccn1)c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-12(18-10-6-9-16-18)15(19)17-14(11-20-2)13-7-4-3-5-8-13/h3-10,12,14H,11H2,1-2H3,(H,17,19)
InChIKeyYSGQVVHIXDCGHS-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.66
Rot. Bonds6

About N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide

N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide (PubChem CID 75372358) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
PubChem CID75372358
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
SMILESCSCC(NC(=O)C(C)n1cccn1)c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-12(18-10-6-9-16-18)15(19)17-14(11-20-2)13-7-4-3-5-8-13/h3-10,12,14H,11H2,1-2H3,(H,17,19)
InChIKeyYSGQVVHIXDCGHS-UHFFFAOYSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95934280
(2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide
CID 97214831
N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide
CID 134048874
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 47156459
2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19536946
3-methyl-2-(2-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211034
N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide
CID 81047310
N-(1-aminopropan-2-yl)-2-pyrazol-1-ylpropanamide
CID 63732994
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide (CID 75372358) is N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide is CSCC(NC(=O)C(C)n1cccn1)c1ccccc1.
What is the InChIKey of N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is YSGQVVHIXDCGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-12(18-10-6-9-16-18)15(19)17-14(11-20-2)13-7-4-3-5-8-13/h3-10,12,14H,11H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide?
N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 75372358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).