N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide

C14H16FN3OS — CID 169057934

IUPACN-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide
SMILESCCCSc1ccn(-c2ccc(NC(C)=O)c(F)c2)n1
InChIInChI=1S/C14H16FN3OS/c1-3-8-20-14-6-7-18(17-14)11-4-5-13(12(15)9-11)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,19)
InChIKeyFSWXPMLNQWWAOK-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.47
Rot. Bonds5

About N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide

N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide (PubChem CID 169057934) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide
PubChem CID169057934
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC NameN-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide
SMILESCCCSc1ccn(-c2ccc(NC(C)=O)c(F)c2)n1
InChIInChI=1S/C14H16FN3OS/c1-3-8-20-14-6-7-18(17-14)11-4-5-13(12(15)9-11)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,19)
InChIKeyFSWXPMLNQWWAOK-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide (CID 169057934) is N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide is CCCSc1ccn(-c2ccc(NC(C)=O)c(F)c2)n1.
What is the InChIKey of N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide?
The InChIKey is FSWXPMLNQWWAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-3-8-20-14-6-7-18(17-14)11-4-5-13(12(15)9-11)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide?
N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(3-propylsulfanylpyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 169057934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).