[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate

C18H16N2O3 — CID 141386587

IUPAC[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate
SMILESCOc1ccc(-c2[nH]nc(-c3ccccc3)c2OC(C)=O)cc1
InChIInChI=1S/C18H16N2O3/c1-12(21)23-18-16(13-6-4-3-5-7-13)19-20-17(18)14-8-10-15(22-2)11-9-14/h3-11H,1-2H3,(H,19,20)
InChIKeyFJDQRWGNFXVSLM-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.68
Rot. Bonds4

About [5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate

[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate (PubChem CID 141386587) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate
PubChem CID141386587
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate
SMILESCOc1ccc(-c2[nH]nc(-c3ccccc3)c2OC(C)=O)cc1
InChIInChI=1S/C18H16N2O3/c1-12(21)23-18-16(13-6-4-3-5-7-13)19-20-17(18)14-8-10-15(22-2)11-9-14/h3-11H,1-2H3,(H,19,20)
InChIKeyFJDQRWGNFXVSLM-UHFFFAOYSA-N
XLogP3.68
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
CID 132505617
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
(3,5-diphenyl-1H-pyrazol-4-yl) hydrogen sulfate
CID 21454029
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole
CID 118529653
3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
CID 15040788
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4-methoxy-3-phenyl-1H-pyrazole-5-carbonyl chloride
CID 175752037
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate
CID 132961390
N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42687652
4,5-bis(4-methoxyphenyl)-N-phenyl-1H-imidazole-2-carboxamide
CID 14100144

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate?
The IUPAC name of [5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate (CID 141386587) is [5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate.
What is the SMILES notation for [5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate?
The canonical SMILES for [5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate is COc1ccc(-c2[nH]nc(-c3ccccc3)c2OC(C)=O)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate?
The InChIKey is FJDQRWGNFXVSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)23-18-16(13-6-4-3-5-7-13)19-20-17(18)14-8-10-15(22-2)11-9-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of [5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate?
[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate has a molecular weight of 308.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate is sourced from PubChem (CID 141386587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).