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

C13H12ClF3N4OS — CID 69261102

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide
SMILESCC(SC(F)(F)F)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C13H12ClF3N4OS/c1-8(23-13(15,16)17)12(22)20(2)10-7-21(19-11(10)14)9-4-3-5-18-6-9/h3-8H,1-2H3
InChIKeyWAKFZFGHLUDIRO-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.53
Rot. Bonds4

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

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide (PubChem CID 69261102) has the molecular formula C13H12ClF3N4OS and a molecular weight of 364.78 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide
PubChem CID69261102
Molecular FormulaC13H12ClF3N4OS
Molecular Weight364.78 g/mol
Exact Mass364.04
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide
SMILESCC(SC(F)(F)F)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C13H12ClF3N4OS/c1-8(23-13(15,16)17)12(22)20(2)10-7-21(19-11(10)14)9-4-3-5-18-6-9/h3-8H,1-2H3
InChIKeyWAKFZFGHLUDIRO-UHFFFAOYSA-N
XLogP3.53
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.53
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-methyl-2-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide (CID 69261102) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide is CC(SC(F)(F)F)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide?
The InChIKey is WAKFZFGHLUDIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4OS/c1-8(23-13(15,16)17)12(22)20(2)10-7-21(19-11(10)14)9-4-3-5-18-6-9/h3-8H,1-2H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)propanamide has a molecular weight of 364.78 g/mol, XLogP of 3.53, 4 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-methyl-2-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 69261102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).