N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide

C13H13ClFN3O — CID 19331292

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide
SMILESCCn1cc(Cl)c(CNC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-2-18-8-11(14)12(17-18)7-16-13(19)9-4-3-5-10(15)6-9/h3-6,8H,2,7H2,1H3,(H,16,19)
InChIKeyZUMPTLVZRJCLFQ-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.63
Rot. Bonds4

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide (PubChem CID 19331292) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide
PubChem CID19331292
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide
SMILESCCn1cc(Cl)c(CNC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-2-18-8-11(14)12(17-18)7-16-13(19)9-4-3-5-10(15)6-9/h3-6,8H,2,7H2,1H3,(H,16,19)
InChIKeyZUMPTLVZRJCLFQ-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide 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

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chloro-2-methylphenoxy)methyl]benzamide
CID 19332939
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 19333052
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19333065
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19331299
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]benzamide
CID 19332955
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19333202
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-[(2-chlorophenoxy)methyl]benzamide
CID 19333126
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19333252
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide
CID 19450031
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19409129
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide (CID 19331292) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide is CCn1cc(Cl)c(CNC(=O)c2cccc(F)c2)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide?
The InChIKey is ZUMPTLVZRJCLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-2-18-8-11(14)12(17-18)7-16-13(19)9-4-3-5-10(15)6-9/h3-6,8H,2,7H2,1H3,(H,16,19).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide has a molecular weight of 281.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 19331292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).