N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide

C21H24N4OS — CID 42987478

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C21H24N4OS/c1-15(27-19-12-8-9-13-22-19)20(26)23-18-14-17(21(2,3)4)24-25(18)16-10-6-5-7-11-16/h5-15H,1-4H3,(H,23,26)
InChIKeyXUHZCXJLDPLGBG-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.68
Rot. Bonds5

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 42987478) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID42987478
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C21H24N4OS/c1-15(27-19-12-8-9-13-22-19)20(26)23-18-14-17(21(2,3)4)24-25(18)16-10-6-5-7-11-16/h5-15H,1-4H3,(H,23,26)
InChIKeyXUHZCXJLDPLGBG-UHFFFAOYSA-N
XLogP4.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)propanamide
CID 8010139
(2S)-N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 41131929
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 56570330
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 16613947
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
CID 4259022
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
CID 42730449
(2R)-N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-chloro-2-phenylacetamide
CID 6548930
(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide
CID 52910343
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylpropanamide
CID 8813082

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide (CID 42987478) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is XUHZCXJLDPLGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15(27-19-12-8-9-13-22-19)20(26)23-18-14-17(21(2,3)4)24-25(18)16-10-6-5-7-11-16/h5-15H,1-4H3,(H,23,26).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 380.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 42987478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).