N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide

C16H21FN4OS — CID 123362873

IUPACN-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide
SMILESCCC(SC)C(C)C(=O)Nc1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C16H21FN4OS/c1-5-15(23-4)10(2)16(22)19-14-9-21(20-11(14)3)13-6-12(17)7-18-8-13/h6-10,15H,5H2,1-4H3,(H,19,22)
InChIKeyZHSQLCUWRVAMPY-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.43
Rot. Bonds6

About N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide

N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide (PubChem CID 123362873) has the molecular formula C16H21FN4OS and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide
PubChem CID123362873
Molecular FormulaC16H21FN4OS
Molecular Weight336.44 g/mol
Exact Mass336.14
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide
SMILESCCC(SC)C(C)C(=O)Nc1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C16H21FN4OS/c1-5-15(23-4)10(2)16(22)19-14-9-21(20-11(14)3)13-6-12(17)7-18-8-13/h6-10,15H,5H2,1-4H3,(H,19,22)
InChIKeyZHSQLCUWRVAMPY-UHFFFAOYSA-N
XLogP3.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide (CID 123362873) is N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide is CCC(SC)C(C)C(=O)Nc1cn(-c2cncc(F)c2)nc1C.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide?
The InChIKey is ZHSQLCUWRVAMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4OS/c1-5-15(23-4)10(2)16(22)19-14-9-21(20-11(14)3)13-6-12(17)7-18-8-13/h6-10,15H,5H2,1-4H3,(H,19,22).
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide?
N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide has a molecular weight of 336.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide is sourced from PubChem (CID 123362873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).