2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide

C13H13F2N3O2 — CID 104620278

IUPAC2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
SMILESCCc1cn[nH]c1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H13F2N3O2/c1-2-8-7-16-18-11(8)17-12(19)9-5-3-4-6-10(9)20-13(14)15/h3-7,13H,2H2,1H3,(H2,16,17,18,19)
InChIKeyRKGAVIMWIGCIPT-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.83
Rot. Bonds5

About 2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide

2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide (PubChem CID 104620278) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
PubChem CID104620278
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
SMILESCCc1cn[nH]c1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H13F2N3O2/c1-2-8-7-16-18-11(8)17-12(19)9-5-3-4-6-10(9)20-13(14)15/h3-7,13H,2H2,1H3,(H2,16,17,18,19)
InChIKeyRKGAVIMWIGCIPT-UHFFFAOYSA-N
XLogP2.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429728
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(4-ethyl-1H-pyrazol-5-yl)-2-fluoropyridine-3-carboxamide
CID 114037892
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616630
4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide
CID 71046767
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 104616592
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616600
1-(4-ethyl-1H-pyrazol-5-yl)-3-(2-methoxyphenyl)urea
CID 104620572

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide (CID 104620278) is 2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide is CCc1cn[nH]c1NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is RKGAVIMWIGCIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-2-8-7-16-18-11(8)17-12(19)9-5-3-4-6-10(9)20-13(14)15/h3-7,13H,2H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 281.26 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 104620278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).