N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide

C14H14ClF3N4OS — CID 69260430

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide
SMILESCCN(C(=O)CCSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H14ClF3N4OS/c1-2-21(12(23)5-7-24-14(16,17)18)11-9-22(20-13(11)15)10-4-3-6-19-8-10/h3-4,6,8-9H,2,5,7H2,1H3
InChIKeyIZIJEEXRBGMLSR-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.92
Rot. Bonds6

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide (PubChem CID 69260430) has the molecular formula C14H14ClF3N4OS and a molecular weight of 378.81 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide
PubChem CID69260430
Molecular FormulaC14H14ClF3N4OS
Molecular Weight378.81 g/mol
Exact Mass378.05
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide
SMILESCCN(C(=O)CCSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H14ClF3N4OS/c1-2-21(12(23)5-7-24-14(16,17)18)11-9-22(20-13(11)15)10-4-3-6-19-8-10/h3-4,6,8-9H,2,5,7H2,1H3
InChIKeyIZIJEEXRBGMLSR-UHFFFAOYSA-N
XLogP3.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide (CID 69260430) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide is CCN(C(=O)CCSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide?
The InChIKey is IZIJEEXRBGMLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4OS/c1-2-21(12(23)5-7-24-14(16,17)18)11-9-22(20-13(11)15)10-4-3-6-19-8-10/h3-4,6,8-9H,2,5,7H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide has a molecular weight of 378.81 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 69260430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).