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

C15H19FN4OS — CID 90308601

IUPACN-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide
SMILESCCc1nn(-c2cncc(F)c2)cc1N(C)C(=O)CCSC
InChIInChI=1S/C15H19FN4OS/c1-4-13-14(19(2)15(21)5-6-22-3)10-20(18-13)12-7-11(16)8-17-9-12/h7-10H,4-6H2,1-3H3
InChIKeyGHPFRLJKLMZJQO-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.68
Rot. Bonds6

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

N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide (PubChem CID 90308601) has the molecular formula C15H19FN4OS and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide
PubChem CID90308601
Molecular FormulaC15H19FN4OS
Molecular Weight322.41 g/mol
Exact Mass322.13
IUPAC NameN-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide
SMILESCCc1nn(-c2cncc(F)c2)cc1N(C)C(=O)CCSC
InChIInChI=1S/C15H19FN4OS/c1-4-13-14(19(2)15(21)5-6-22-3)10-20(18-13)12-7-11(16)8-17-9-12/h7-10H,4-6H2,1-3H3
InChIKeyGHPFRLJKLMZJQO-UHFFFAOYSA-N
XLogP2.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide (CID 90308601) is N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide is CCc1nn(-c2cncc(F)c2)cc1N(C)C(=O)CCSC.
What is the InChIKey of N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide?
The InChIKey is GHPFRLJKLMZJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4OS/c1-4-13-14(19(2)15(21)5-6-22-3)10-20(18-13)12-7-11(16)8-17-9-12/h7-10H,4-6H2,1-3H3.
What are the key properties of N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide?
N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 90308601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).