4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole

C18H18N2O — CID 67740433

IUPAC4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O/c1-3-14-13-20(16-7-5-4-6-8-16)19-18(14)15-9-11-17(21-2)12-10-15/h4-13H,3H2,1-2H3
InChIKeyPFYNGKSITGICLS-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.11
Rot. Bonds4

About 4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole

4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole (PubChem CID 67740433) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
PubChem CID67740433
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O/c1-3-14-13-20(16-7-5-4-6-8-16)19-18(14)15-9-11-17(21-2)12-10-15/h4-13H,3H2,1-2H3
InChIKeyPFYNGKSITGICLS-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
CID 9433463
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 46809748
N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide
CID 78818674
N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide
CID 119498729
1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-5-nitropyridin-2-one
CID 38896129
[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773905
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine
CID 18227355
N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
CID 1290486

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole?
The IUPAC name of 4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole (CID 67740433) is 4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole.
What is the SMILES notation for 4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole?
The canonical SMILES for 4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole is CCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1.
What is the InChIKey of 4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole?
The InChIKey is PFYNGKSITGICLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-14-13-20(16-7-5-4-6-8-16)19-18(14)15-9-11-17(21-2)12-10-15/h4-13H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole?
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole has a molecular weight of 278.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole is sourced from PubChem (CID 67740433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).