2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide

C18H16FN3O2 — CID 135315910

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccn(-c3ccccc3)n2)cc1F
InChIInChI=1S/C18H16FN3O2/c1-24-16-8-7-13(11-15(16)19)12-18(23)20-17-9-10-22(21-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyBWICHSDQWYRBHM-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.20
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide

2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide (PubChem CID 135315910) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
PubChem CID135315910
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccn(-c3ccccc3)n2)cc1F
InChIInChI=1S/C18H16FN3O2/c1-24-16-8-7-13(11-15(16)19)12-18(23)20-17-9-10-22(21-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyBWICHSDQWYRBHM-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55537078
N-(2-benzylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045822
2-(3-fluoro-4-methoxyphenyl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 86912777
2-[3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230904
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526690
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694
3-[3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]pyrazol-1-yl]propanoic acid
CID 154783276
2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315845
2-(3-fluoro-4-methoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725790
3-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55536355

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide (CID 135315910) is 2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide is COc1ccc(CC(=O)Nc2ccn(-c3ccccc3)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The InChIKey is BWICHSDQWYRBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-16-8-7-13(11-15(16)19)12-18(23)20-17-9-10-22(21-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21,23).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide has a molecular weight of 325.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 135315910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).