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

C18H18FN3OS — CID 42686313

IUPACN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Cc1cccs1
InChIInChI=1S/C18H18FN3OS/c1-2-5-15-18(20-16(23)11-14-8-4-9-24-14)17(22-21-15)12-6-3-7-13(19)10-12/h3-4,6-10H,2,5,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyWBPAVSCAZBZEHC-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.41
Rot. Bonds6

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

N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 42686313) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
PubChem CID42686313
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Cc1cccs1
InChIInChI=1S/C18H18FN3OS/c1-2-5-15-18(20-16(23)11-14-8-4-9-24-14)17(22-21-15)12-6-3-7-13(19)10-12/h3-4,6-10H,2,5,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyWBPAVSCAZBZEHC-UHFFFAOYSA-N
XLogP4.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide (CID 42686313) is N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide is CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Cc1cccs1.
What is the InChIKey of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is WBPAVSCAZBZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-2-5-15-18(20-16(23)11-14-8-4-9-24-14)17(22-21-15)12-6-3-7-13(19)10-12/h3-4,6-10H,2,5,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 343.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42686313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).