N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide

C18H16FN3O — CID 7589844

IUPACN-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C18H16FN3O/c19-16-9-5-4-8-15(16)12-18(23)21-17-10-11-20-22(17)13-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,23)
InChIKeyHOXTXBDSJLAMEP-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.25
Rot. Bonds5

About N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide

N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide (PubChem CID 7589844) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide
PubChem CID7589844
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C18H16FN3O/c19-16-9-5-4-8-15(16)12-18(23)21-17-10-11-20-22(17)13-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,23)
InChIKeyHOXTXBDSJLAMEP-UHFFFAOYSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
CID 135566411
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
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N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
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CID 118560709
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N-(4-cyano-1-phenylpyrazol-5-yl)(2-fluorophenyl)carboxamide
CID 722799
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
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CID 999008
Gsk-5498A
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5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
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CID 110472142

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide (CID 7589844) is N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide?
The InChIKey is HOXTXBDSJLAMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-16-9-5-4-8-15(16)12-18(23)21-17-10-11-20-22(17)13-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,23).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide?
N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide has a molecular weight of 309.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 7589844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).