3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide

C14H15F2N3O — CID 115692372

IUPAC3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
SMILESCCc1cn[nH]c1NC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O/c1-2-10-8-17-19-14(10)18-13(20)6-4-9-3-5-11(15)12(16)7-9/h3,5,7-8H,2,4,6H2,1H3,(H2,17,18,19,20)
InChIKeyFFDBMVGGJAMDLI-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.82
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide

3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide (PubChem CID 115692372) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
PubChem CID115692372
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
SMILESCCc1cn[nH]c1NC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O/c1-2-10-8-17-19-14(10)18-13(20)6-4-9-3-5-11(15)12(16)7-9/h3,5,7-8H,2,4,6H2,1H3,(H2,17,18,19,20)
InChIKeyFFDBMVGGJAMDLI-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115680816
3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104617783
3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
CID 47047643
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide
CID 156585857
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 112698162
2-(4-ethylphenoxy)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 115680804
N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide
CID 115680788
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114649
(2R)-2-[3-(3,4-difluorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79010917

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide (CID 115692372) is 3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide is CCc1cn[nH]c1NC(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
The InChIKey is FFDBMVGGJAMDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-2-10-8-17-19-14(10)18-13(20)6-4-9-3-5-11(15)12(16)7-9/h3,5,7-8H,2,4,6H2,1H3,(H2,17,18,19,20).
What are the key properties of 3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide has a molecular weight of 279.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 115692372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).