1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole

C18H16N2O — CID 102507741

IUPAC1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole
SMILESC=Cc1ccc(OCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C18H16N2O/c1-2-15-6-10-18(11-7-15)21-14-16-4-8-17(9-5-16)20-13-3-12-19-20/h2-13H,1,14H2
InChIKeyNVXWARXGKJNNJW-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.09
Rot. Bonds5

About 1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole

1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole (PubChem CID 102507741) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole
PubChem CID102507741
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole
SMILESC=Cc1ccc(OCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C18H16N2O/c1-2-15-6-10-18(11-7-15)21-14-16-4-8-17(9-5-16)20-13-3-12-19-20/h2-13H,1,14H2
InChIKeyNVXWARXGKJNNJW-UHFFFAOYSA-N
XLogP4.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole?
The IUPAC name of 1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole (CID 102507741) is 1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole.
What is the SMILES notation for 1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole?
The canonical SMILES for 1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole is C=Cc1ccc(OCc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole?
The InChIKey is NVXWARXGKJNNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-15-6-10-18(11-7-15)21-14-16-4-8-17(9-5-16)20-13-3-12-19-20/h2-13H,1,14H2.
What are the key properties of 1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole?
1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole has a molecular weight of 276.34 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole is sourced from PubChem (CID 102507741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).