3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole

C23H19ClN2O2 — CID 141089729

IUPAC3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole
SMILESCOc1ccc(-n2cc(-c3ccc(OCc4ccccc4)cc3)c(Cl)n2)cc1
InChIInChI=1S/C23H19ClN2O2/c1-27-20-13-9-19(10-14-20)26-15-22(23(24)25-26)18-7-11-21(12-8-18)28-16-17-5-3-2-4-6-17/h2-15H,16H2,1H3
InChIKeyDCYNYJNNKGUFQB-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.78
Rot. Bonds6

About 3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole

3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole (PubChem CID 141089729) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole.

Molecular Properties

Compound Name3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole
PubChem CID141089729
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole
SMILESCOc1ccc(-n2cc(-c3ccc(OCc4ccccc4)cc3)c(Cl)n2)cc1
InChIInChI=1S/C23H19ClN2O2/c1-27-20-13-9-19(10-14-20)26-15-22(23(24)25-26)18-7-11-21(12-8-18)28-16-17-5-3-2-4-6-17/h2-15H,16H2,1H3
InChIKeyDCYNYJNNKGUFQB-UHFFFAOYSA-N
XLogP5.78
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole?
The IUPAC name of 3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole (CID 141089729) is 3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole.
What is the SMILES notation for 3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole?
The canonical SMILES for 3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole is COc1ccc(-n2cc(-c3ccc(OCc4ccccc4)cc3)c(Cl)n2)cc1.
What is the InChIKey of 3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole?
The InChIKey is DCYNYJNNKGUFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-27-20-13-9-19(10-14-20)26-15-22(23(24)25-26)18-7-11-21(12-8-18)28-16-17-5-3-2-4-6-17/h2-15H,16H2,1H3.
What are the key properties of 3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole?
3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole has a molecular weight of 390.87 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole is sourced from PubChem (CID 141089729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).