N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide

C13H13F2N3O — CID 35520962

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide
SMILESCCn1nccc1CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H13F2N3O/c1-2-18-9(6-7-17-18)8-16-13(19)10-4-3-5-11(14)12(10)15/h3-7H,2,8H2,1H3,(H,16,19)
InChIKeyOWFNAWNQZZLVIK-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.11
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide

N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide (PubChem CID 35520962) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide
PubChem CID35520962
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide
SMILESCCn1nccc1CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H13F2N3O/c1-2-18-9(6-7-17-18)8-16-13(19)10-4-3-5-11(14)12(10)15/h3-7H,2,8H2,1H3,(H,16,19)
InChIKeyOWFNAWNQZZLVIK-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19581522
4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19294474
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
2-methyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylcarbamoyl]benzoic acid
CID 154846434
N-[(2-ethylpyrazol-3-yl)methyl]-5-hydroxypyridine-2-carboxamide
CID 154869970
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2,3-difluoro-N-pentylbenzamide
CID 62649821
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine
CID 115761813
2-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294713
N-[(2-ethylpyrazol-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19294529
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide (CID 35520962) is N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide is CCn1nccc1CNC(=O)c1cccc(F)c1F.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide?
The InChIKey is OWFNAWNQZZLVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-2-18-9(6-7-17-18)8-16-13(19)10-4-3-5-11(14)12(10)15/h3-7H,2,8H2,1H3,(H,16,19).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide?
N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide has a molecular weight of 265.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide is sourced from PubChem (CID 35520962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).