2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide

C16H18FN3OS — CID 138053629

IUPAC2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc(SC2CC2)cc1)Nc1ccn(CCF)n1
InChIInChI=1S/C16H18FN3OS/c17-8-10-20-9-7-15(19-20)18-16(21)11-12-1-3-13(4-2-12)22-14-5-6-14/h1-4,7,9,14H,5-6,8,10-11H2,(H,18,19,21)
InChIKeyIFDHEWMKIIYYEO-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.29
Rot. Bonds7

About 2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide

2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide (PubChem CID 138053629) has the molecular formula C16H18FN3OS and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide
PubChem CID138053629
Molecular FormulaC16H18FN3OS
Molecular Weight319.41 g/mol
Exact Mass319.12
IUPAC Name2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc(SC2CC2)cc1)Nc1ccn(CCF)n1
InChIInChI=1S/C16H18FN3OS/c17-8-10-20-9-7-15(19-20)18-16(21)11-12-1-3-13(4-2-12)22-14-5-6-14/h1-4,7,9,14H,5-6,8,10-11H2,(H,18,19,21)
InChIKeyIFDHEWMKIIYYEO-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide (CID 138053629) is 2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide is O=C(Cc1ccc(SC2CC2)cc1)Nc1ccn(CCF)n1.
What is the InChIKey of 2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide?
The InChIKey is IFDHEWMKIIYYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c17-8-10-20-9-7-15(19-20)18-16(21)11-12-1-3-13(4-2-12)22-14-5-6-14/h1-4,7,9,14H,5-6,8,10-11H2,(H,18,19,21).
What are the key properties of 2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide?
2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfanylphenyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 138053629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).