2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide

C13H13F2N3O — CID 112698162

IUPAC2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1cc(NC(=O)Cc2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C13H13F2N3O/c1-2-9-7-12(18-17-9)16-13(19)6-8-3-4-10(14)11(15)5-8/h3-5,7H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyFATIFRBNBLJSLN-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.43
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide

2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 112698162) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
PubChem CID112698162
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1cc(NC(=O)Cc2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C13H13F2N3O/c1-2-9-7-12(18-17-9)16-13(19)6-8-3-4-10(14)11(15)5-8/h3-5,7H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyFATIFRBNBLJSLN-UHFFFAOYSA-N
XLogP2.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593756
2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 47423250
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
N-(5-ethyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 115663310
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 113229818
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412
N-(5-ethyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619581
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 104616117
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide (CID 112698162) is 2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide is CCc1cc(NC(=O)Cc2ccc(F)c(F)c2)n[nH]1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is FATIFRBNBLJSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-2-9-7-12(18-17-9)16-13(19)6-8-3-4-10(14)11(15)5-8/h3-5,7H,2,6H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 265.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 112698162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).