N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide

C19H18FN3O2 — CID 19286047

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C19H18FN3O2/c1-14-6-2-5-9-17(14)25-13-19(24)21-18-10-11-23(22-18)12-15-7-3-4-8-16(15)20/h2-11H,12-13H2,1H3,(H,21,22,24)
InChIKeyARJVBOSSJSUJDL-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.40
Rot. Bonds6

About N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 19286047) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
PubChem CID19286047
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C19H18FN3O2/c1-14-6-2-5-9-17(14)25-13-19(24)21-18-10-11-23(22-18)12-15-7-3-4-8-16(15)20/h2-11H,12-13H2,1H3,(H,21,22,24)
InChIKeyARJVBOSSJSUJDL-UHFFFAOYSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19409457
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19403248
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19285937
4-[(2,4-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19483604
2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 17088770
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 998871
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 19286071
1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274063
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 35273830
4-[(4-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284891
5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 4076935

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide (CID 19286047) is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccn(Cc2ccccc2F)n1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is ARJVBOSSJSUJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-14-6-2-5-9-17(14)25-13-19(24)21-18-10-11-23(22-18)12-15-7-3-4-8-16(15)20/h2-11H,12-13H2,1H3,(H,21,22,24).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 339.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 19286047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).