5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole

C18H18N2O — CID 90323208

IUPAC5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole
SMILESCCOc1ccc(Cc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C18H18N2O/c1-2-21-17-9-5-15(6-10-17)13-14-3-7-16(8-4-14)18-11-12-19-20-18/h3-12H,2,13H2,1H3,(H,19,20)
InChIKeyGXTSXQNMLRMSSV-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.07
Rot. Bonds5

About 5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole

5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole (PubChem CID 90323208) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole
PubChem CID90323208
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole
SMILESCCOc1ccc(Cc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C18H18N2O/c1-2-21-17-9-5-15(6-10-17)13-14-3-7-16(8-4-14)18-11-12-19-20-18/h3-12H,2,13H2,1H3,(H,19,20)
InChIKeyGXTSXQNMLRMSSV-UHFFFAOYSA-N
XLogP4.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole (CID 90323208) is 5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole is CCOc1ccc(Cc2ccc(-c3ccn[nH]3)cc2)cc1.
What is the InChIKey of 5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole?
The InChIKey is GXTSXQNMLRMSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-21-17-9-5-15(6-10-17)13-14-3-7-16(8-4-14)18-11-12-19-20-18/h3-12H,2,13H2,1H3,(H,19,20).
What are the key properties of 5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole?
5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole has a molecular weight of 278.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole is sourced from PubChem (CID 90323208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).