N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide

C18H18FN3O2S — CID 51067989

IUPACN-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N1N=C(c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2S/c1-2-17(23)20-11-18(24)22-15(12-5-7-13(19)8-6-12)10-14(21-22)16-4-3-9-25-16/h3-9,15H,2,10-11H2,1H3,(H,20,23)
InChIKeyXYHQJRHJOZUSKH-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.09
Rot. Bonds5

About N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide

N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide (PubChem CID 51067989) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
PubChem CID51067989
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N1N=C(c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2S/c1-2-17(23)20-11-18(24)22-15(12-5-7-13(19)8-6-12)10-14(21-22)16-4-3-9-25-16/h3-9,15H,2,10-11H2,1H3,(H,20,23)
InChIKeyXYHQJRHJOZUSKH-UHFFFAOYSA-N
XLogP3.09
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide (CID 51067989) is N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)N1N=C(c2cccs2)CC1c1ccc(F)cc1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide?
The InChIKey is XYHQJRHJOZUSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-2-17(23)20-11-18(24)22-15(12-5-7-13(19)8-6-12)10-14(21-22)16-4-3-9-25-16/h3-9,15H,2,10-11H2,1H3,(H,20,23).
What are the key properties of N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide?
N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide has a molecular weight of 359.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 51067989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).