3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole

C23H19ClN2O2 — CID 166633165

IUPAC3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(OC)c(-c2cc(-c3ccc(-c4ccc(Cl)cc4)cc3)n[nH]2)c1
InChIInChI=1S/C23H19ClN2O2/c1-27-19-11-12-23(28-2)20(13-19)22-14-21(25-26-22)17-5-3-15(4-6-17)16-7-9-18(24)10-8-16/h3-14H,1-2H3,(H,25,26)
InChIKeyGTHKDXKSHNHAHQ-UHFFFAOYSA-N
MW390.87 g/mol
LogP6.08
Rot. Bonds5

About 3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole

3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole (PubChem CID 166633165) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole
PubChem CID166633165
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(OC)c(-c2cc(-c3ccc(-c4ccc(Cl)cc4)cc3)n[nH]2)c1
InChIInChI=1S/C23H19ClN2O2/c1-27-19-11-12-23(28-2)20(13-19)22-14-21(25-26-22)17-5-3-15(4-6-17)16-7-9-18(24)10-8-16/h3-14H,1-2H3,(H,25,26)
InChIKeyGTHKDXKSHNHAHQ-UHFFFAOYSA-N
XLogP6.08
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole (CID 166633165) is 3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole is COc1ccc(OC)c(-c2cc(-c3ccc(-c4ccc(Cl)cc4)cc3)n[nH]2)c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole?
The InChIKey is GTHKDXKSHNHAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-27-19-11-12-23(28-2)20(13-19)22-14-21(25-26-22)17-5-3-15(4-6-17)16-7-9-18(24)10-8-16/h3-14H,1-2H3,(H,25,26).
What are the key properties of 3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole?
3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole has a molecular weight of 390.87 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)phenyl]-5-(2,5-dimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 166633165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).