N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide

C18H16FN3OS — CID 42686284

IUPACN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1
InChIInChI=1S/C18H16FN3OS/c19-13-4-1-3-12(9-13)17-18(16(21-22-17)11-6-7-11)20-15(23)10-14-5-2-8-24-14/h1-5,8-9,11H,6-7,10H2,(H,20,23)(H,21,22)
InChIKeyFTKRFMROHIIONG-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.34
Rot. Bonds5

About N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide

N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 42686284) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
PubChem CID42686284
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC NameN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1
InChIInChI=1S/C18H16FN3OS/c19-13-4-1-3-12(9-13)17-18(16(21-22-17)11-6-7-11)20-15(23)10-14-5-2-8-24-14/h1-5,8-9,11H,6-7,10H2,(H,20,23)(H,21,22)
InChIKeyFTKRFMROHIIONG-UHFFFAOYSA-N
XLogP4.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide (CID 42686284) is N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1.
What is the InChIKey of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is FTKRFMROHIIONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c19-13-4-1-3-12(9-13)17-18(16(21-22-17)11-6-7-11)20-15(23)10-14-5-2-8-24-14/h1-5,8-9,11H,6-7,10H2,(H,20,23)(H,21,22).
What are the key properties of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 341.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42686284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).