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

C14H17FN4OS — CID 90359775

IUPACN-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)c1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C14H17FN4OS/c1-10-13(18(2)14(20)4-5-21-3)9-19(17-10)12-6-11(15)7-16-8-12/h6-9H,4-5H2,1-3H3
InChIKeyXRVRZDADZGWMAS-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.43
Rot. Bonds5

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

N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide (PubChem CID 90359775) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide
PubChem CID90359775
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)c1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C14H17FN4OS/c1-10-13(18(2)14(20)4-5-21-3)9-19(17-10)12-6-11(15)7-16-8-12/h6-9H,4-5H2,1-3H3
InChIKeyXRVRZDADZGWMAS-UHFFFAOYSA-N
XLogP2.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
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]-N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide (CID 90359775) is N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide is CSCCC(=O)N(C)c1cn(-c2cncc(F)c2)nc1C.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide?
The InChIKey is XRVRZDADZGWMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-10-13(18(2)14(20)4-5-21-3)9-19(17-10)12-6-11(15)7-16-8-12/h6-9H,4-5H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide?
N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 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]-N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 90359775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).