2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide

C16H19F3N4OS — CID 146755863

IUPAC2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide
SMILESCCCc1nn(-c2cccnc2)cc1NC(=O)C(C)CSC(F)(F)F
InChIInChI=1S/C16H19F3N4OS/c1-3-5-13-14(9-23(22-13)12-6-4-7-20-8-12)21-15(24)11(2)10-25-16(17,18)19/h4,6-9,11H,3,5,10H2,1-2H3,(H,21,24)
InChIKeyROJRXKUNVMUTMI-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.05
Rot. Bonds7

About 2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide

2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide (PubChem CID 146755863) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide
PubChem CID146755863
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide
SMILESCCCc1nn(-c2cccnc2)cc1NC(=O)C(C)CSC(F)(F)F
InChIInChI=1S/C16H19F3N4OS/c1-3-5-13-14(9-23(22-13)12-6-4-7-20-8-12)21-15(24)11(2)10-25-16(17,18)19/h4,6-9,11H,3,5,10H2,1-2H3,(H,21,24)
InChIKeyROJRXKUNVMUTMI-UHFFFAOYSA-N
XLogP4.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-propan-2-ylsulfanylpropanamide
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1-[methyl-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)amino]-3-(3,3,3-trifluoropropylsulfinyl)propan-1-ol
CID 146840188
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
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N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluoro-2-methylbutanamide
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3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67456871
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-(2-methyl-3-methylsulfanylpropanoyl)-3-methylsulfanylpropanamide
CID 90359861
(2R)-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3-(trifluoromethylsulfanyl)propanamide
CID 96559151
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide
CID 129156294
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-methylsulfanylbutanamide
CID 69261053
1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359810
4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of 2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide (CID 146755863) is 2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for 2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide is CCCc1nn(-c2cccnc2)cc1NC(=O)C(C)CSC(F)(F)F.
What is the InChIKey of 2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide?
The InChIKey is ROJRXKUNVMUTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-3-5-13-14(9-23(22-13)12-6-4-7-20-8-12)21-15(24)11(2)10-25-16(17,18)19/h4,6-9,11H,3,5,10H2,1-2H3,(H,21,24).
What are the key properties of 2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide?
2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide has a molecular weight of 372.42 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 146755863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).