N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide

C15H18ClFN4OS — CID 90359786

IUPACN-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide
SMILESCCN(C(=O)C(C)CSC)c1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C15H18ClFN4OS/c1-4-20(15(22)10(2)9-23-3)13-8-21(19-14(13)16)12-5-11(17)6-18-7-12/h5-8,10H,4,9H2,1-3H3
InChIKeyFTMFHTKJUJAONK-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.41
Rot. Bonds6

About N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide

N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide (PubChem CID 90359786) has the molecular formula C15H18ClFN4OS and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide
PubChem CID90359786
Molecular FormulaC15H18ClFN4OS
Molecular Weight356.85 g/mol
Exact Mass356.09
IUPAC NameN-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide
SMILESCCN(C(=O)C(C)CSC)c1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C15H18ClFN4OS/c1-4-20(15(22)10(2)9-23-3)13-8-21(19-14(13)16)12-5-11(17)6-18-7-12/h5-8,10H,4,9H2,1-3H3
InChIKeyFTMFHTKJUJAONK-UHFFFAOYSA-N
XLogP3.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.41
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-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide (CID 90359786) is N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide is CCN(C(=O)C(C)CSC)c1cn(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is FTMFHTKJUJAONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4OS/c1-4-20(15(22)10(2)9-23-3)13-8-21(19-14(13)16)12-5-11(17)6-18-7-12/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide?
N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 356.85 g/mol, XLogP of 3.41, 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-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 90359786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).