2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol

C32H24N2O2 — CID 135436724

IUPAC2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cc3ccccc3cc2-c2cc(-c3ccccc3O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C32H24N2O2/c1-36-26-17-15-22(16-18-26)28-19-23-9-5-6-10-24(23)20-29(28)30-21-31(27-13-7-8-14-32(27)35)34(33-30)25-11-3-2-4-12-25/h2-21,35H,1H3
InChIKeyHNHBULJNLADKPN-UHFFFAOYSA-N
MW468.56 g/mol
LogP7.74
Rot. Bonds5

About 2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol

2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol (PubChem CID 135436724) has the molecular formula C32H24N2O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol
PubChem CID135436724
Molecular FormulaC32H24N2O2
Molecular Weight468.56 g/mol
Exact Mass468.18
IUPAC Name2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cc3ccccc3cc2-c2cc(-c3ccccc3O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C32H24N2O2/c1-36-26-17-15-22(16-18-26)28-19-23-9-5-6-10-24(23)20-29(28)30-21-31(27-13-7-8-14-32(27)35)34(33-30)25-11-3-2-4-12-25/h2-21,35H,1H3
InChIKeyHNHBULJNLADKPN-UHFFFAOYSA-N
XLogP7.74
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol?
The IUPAC name of 2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol (CID 135436724) is 2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol is COc1ccc(-c2cc3ccccc3cc2-c2cc(-c3ccccc3O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol?
The InChIKey is HNHBULJNLADKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O2/c1-36-26-17-15-22(16-18-26)28-19-23-9-5-6-10-24(23)20-29(28)30-21-31(27-13-7-8-14-32(27)35)34(33-30)25-11-3-2-4-12-25/h2-21,35H,1H3.
What are the key properties of 2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol?
2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol has a molecular weight of 468.56 g/mol, XLogP of 7.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-methoxyphenyl)naphthalen-2-yl]-1-phenylpyrazol-5-yl]phenol is sourced from PubChem (CID 135436724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).