5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole

C16H14N2O2 — CID 2806185

IUPAC5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
SMILESCOc1ccc(Oc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C16H14N2O2/c1-19-13-6-8-15(9-7-13)20-14-4-2-12(3-5-14)16-10-11-17-18-16/h2-11H,1H3,(H,17,18)
InChIKeyDQUCWLYNWVXPCI-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.88
Rot. Bonds4

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

5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole (PubChem CID 2806185) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
PubChem CID2806185
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
SMILESCOc1ccc(Oc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C16H14N2O2/c1-19-13-6-8-15(9-7-13)20-14-4-2-12(3-5-14)16-10-11-17-18-16/h2-11H,1H3,(H,17,18)
InChIKeyDQUCWLYNWVXPCI-UHFFFAOYSA-N
XLogP3.88
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole (CID 2806185) is 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole is COc1ccc(Oc2ccc(-c3ccn[nH]3)cc2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole?
The InChIKey is DQUCWLYNWVXPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-19-13-6-8-15(9-7-13)20-14-4-2-12(3-5-14)16-10-11-17-18-16/h2-11H,1H3,(H,17,18).
What are the key properties of 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole?
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole has a molecular weight of 266.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 2806185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).