N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide

C13H14FN3O — CID 42686255

IUPACN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(C)=O
InChIInChI=1S/C13H14FN3O/c1-3-11-13(15-8(2)18)12(17-16-11)9-5-4-6-10(14)7-9/h4-7H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyJSVVBDVAVFFTMS-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.74
Rot. Bonds3

About N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide

N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 42686255) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide
PubChem CID42686255
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(C)=O
InChIInChI=1S/C13H14FN3O/c1-3-11-13(15-8(2)18)12(17-16-11)9-5-4-6-10(14)7-9/h4-7H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyJSVVBDVAVFFTMS-UHFFFAOYSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ripazepam
CID 33474
1-(3-(4-Fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one
CID 57076369
N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 42686616
N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide
CID 164612500
N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20918276
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
CID 42686249
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686254
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
CID 42686272
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide
CID 42686302
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686308
3,3-Dimethyl-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}butanamide
CID 42686494
N-{5-Methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}cyclopentanecarboxamide
CID 42686500

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide (CID 42686255) is N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide is CCc1[nH]nc(-c2cccc(F)c2)c1NC(C)=O.
What is the InChIKey of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is JSVVBDVAVFFTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-3-11-13(15-8(2)18)12(17-16-11)9-5-4-6-10(14)7-9/h4-7H,3H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 247.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42686255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).