1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole

C18H18N2O — CID 107958440

IUPAC1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole
SMILESCCOc1ccc(-n2cc(-c3cccc(C)c3)cn2)cc1
InChIInChI=1S/C18H18N2O/c1-3-21-18-9-7-17(8-10-18)20-13-16(12-19-20)15-6-4-5-14(2)11-15/h4-13H,3H2,1-2H3
InChIKeyZTBSPGJNDDRCQC-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.25
Rot. Bonds4

About 1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole

1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole (PubChem CID 107958440) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole
PubChem CID107958440
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole
SMILESCCOc1ccc(-n2cc(-c3cccc(C)c3)cn2)cc1
InChIInChI=1S/C18H18N2O/c1-3-21-18-9-7-17(8-10-18)20-13-16(12-19-20)15-6-4-5-14(2)11-15/h4-13H,3H2,1-2H3
InChIKeyZTBSPGJNDDRCQC-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958442
1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrazole
CID 107958448
4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958445
ethane;4-ethoxy-1-(4-methylphenyl)pyrazole
CID 145188888
1-(4-ethoxyphenyl)pyrazole-4-carbonitrile
CID 82284363
4-(4-ethoxypyrazol-1-yl)phenol
CID 117229696
3-[4-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzonitrile
CID 134308751
7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 4270221
2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride
CID 164607150
3-[1-(6-ethoxypyrimidin-4-yl)pyrazol-4-yl]aniline
CID 66320358
3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazole
CID 3268580
(2R)-2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 2485855

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole?
The IUPAC name of 1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole (CID 107958440) is 1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole?
The canonical SMILES for 1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole is CCOc1ccc(-n2cc(-c3cccc(C)c3)cn2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole?
The InChIKey is ZTBSPGJNDDRCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-21-18-9-7-17(8-10-18)20-13-16(12-19-20)15-6-4-5-14(2)11-15/h4-13H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole?
1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole has a molecular weight of 278.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole is sourced from PubChem (CID 107958440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).