4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol

C23H19N3O2 — CID 2360702

IUPAC4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-22-13-7-17(8-14-22)23-18(15-24-19-9-11-21(27)12-10-19)16-26(25-23)20-5-3-2-4-6-20/h2-16,27H,1H3/b24-15+
InChIKeyXWOSMMCGWQHCBL-BUVRLJJBSA-N
MW369.42 g/mol
LogP5.00
Rot. Bonds5

About 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol

4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol (PubChem CID 2360702) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol
PubChem CID2360702
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-22-13-7-17(8-14-22)23-18(15-24-19-9-11-21(27)12-10-19)16-26(25-23)20-5-3-2-4-6-20/h2-16,27H,1H3/b24-15+
InChIKeyXWOSMMCGWQHCBL-BUVRLJJBSA-N
XLogP5.00
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol?
The IUPAC name of 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol (CID 2360702) is 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol is COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol?
The InChIKey is XWOSMMCGWQHCBL-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-22-13-7-17(8-14-22)23-18(15-24-19-9-11-21(27)12-10-19)16-26(25-23)20-5-3-2-4-6-20/h2-16,27H,1H3/b24-15+.
What are the key properties of 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol?
4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol has a molecular weight of 369.42 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phenol is sourced from PubChem (CID 2360702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).