N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide

C19H18FN3O2 — CID 42687684

IUPACN-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
SMILESCCc1[nH]nc(-c2ccc(OC)cc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C19H18FN3O2/c1-3-16-18(21-19(24)14-6-4-5-7-15(14)20)17(23-22-16)12-8-10-13(25-2)11-9-12/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKDWJPWYUIJIWRP-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.04
Rot. Bonds5

About N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide

N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide (PubChem CID 42687684) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
PubChem CID42687684
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
SMILESCCc1[nH]nc(-c2ccc(OC)cc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C19H18FN3O2/c1-3-16-18(21-19(24)14-6-4-5-7-15(14)20)17(23-22-16)12-8-10-13(25-2)11-9-12/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKDWJPWYUIJIWRP-UHFFFAOYSA-N
XLogP4.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-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-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42686670
N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42685636
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686957
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide
CID 42687302
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate
CID 42874454
N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685933
N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
CID 42687612
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686883
N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-fluorobenzamide
CID 42685787
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide (CID 42687684) is N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide is CCc1[nH]nc(-c2ccc(OC)cc2)c1NC(=O)c1ccccc1F.
What is the InChIKey of N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide?
The InChIKey is KDWJPWYUIJIWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-3-16-18(21-19(24)14-6-4-5-7-15(14)20)17(23-22-16)12-8-10-13(25-2)11-9-12/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide?
N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide has a molecular weight of 339.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 42687684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).