N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide

C19H18FN3O2 — CID 86922182

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)c(F)c1
InChIInChI=1S/C19H18FN3O2/c1-13-10-18(23(22-13)12-14-6-4-3-5-7-14)21-19(24)16-9-8-15(25-2)11-17(16)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyOWWIEVIUZQYWAA-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.64
Rot. Bonds5

About N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide

N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide (PubChem CID 86922182) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide
PubChem CID86922182
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)c(F)c1
InChIInChI=1S/C19H18FN3O2/c1-13-10-18(23(22-13)12-14-6-4-3-5-7-14)21-19(24)16-9-8-15(25-2)11-17(16)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyOWWIEVIUZQYWAA-UHFFFAOYSA-N
XLogP3.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 39891220
N-(2-benzyl-5-methylpyrazol-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 52762664
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112822182
N-(2-benzyl-5-methylpyrazol-3-yl)-5-chloro-2-iodobenzamide
CID 60553051
2-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 39853221
N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885170
N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide
CID 9116244
N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 60571041
N-(2-benzyl-5-methylpyrazol-3-yl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55551943
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide
CID 47022209

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide (CID 86922182) is N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)c(F)c1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide?
The InChIKey is OWWIEVIUZQYWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-10-18(23(22-13)12-14-6-4-3-5-7-14)21-19(24)16-9-8-15(25-2)11-17(16)20/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide has a molecular weight of 339.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 86922182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).