5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole

C28H21ClN2O — CID 166628313

IUPAC5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole
SMILESClc1ccc(-c2ccc(-c3cc(-c4ccc(OCc5ccccc5)cc4)n[nH]3)cc2)cc1
InChIInChI=1S/C28H21ClN2O/c29-25-14-10-22(11-15-25)21-6-8-23(9-7-21)27-18-28(31-30-27)24-12-16-26(17-13-24)32-19-20-4-2-1-3-5-20/h1-18H,19H2,(H,30,31)
InChIKeyGEGTUVBKWCPNHZ-UHFFFAOYSA-N
MW436.94 g/mol
LogP7.64
Rot. Bonds6

About 5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole

5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole (PubChem CID 166628313) has the molecular formula C28H21ClN2O and a molecular weight of 436.94 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole
PubChem CID166628313
Molecular FormulaC28H21ClN2O
Molecular Weight436.94 g/mol
Exact Mass436.13
IUPAC Name5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole
SMILESClc1ccc(-c2ccc(-c3cc(-c4ccc(OCc5ccccc5)cc4)n[nH]3)cc2)cc1
InChIInChI=1S/C28H21ClN2O/c29-25-14-10-22(11-15-25)21-6-8-23(9-7-21)27-18-28(31-30-27)24-12-16-26(17-13-24)32-19-20-4-2-1-3-5-20/h1-18H,19H2,(H,30,31)
InChIKeyGEGTUVBKWCPNHZ-UHFFFAOYSA-N
XLogP7.64
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole (CID 166628313) is 5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole is Clc1ccc(-c2ccc(-c3cc(-c4ccc(OCc5ccccc5)cc4)n[nH]3)cc2)cc1.
What is the InChIKey of 5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole?
The InChIKey is GEGTUVBKWCPNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O/c29-25-14-10-22(11-15-25)21-6-8-23(9-7-21)27-18-28(31-30-27)24-12-16-26(17-13-24)32-19-20-4-2-1-3-5-20/h1-18H,19H2,(H,30,31).
What are the key properties of 5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole?
5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole has a molecular weight of 436.94 g/mol, XLogP of 7.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)phenyl]-3-(4-phenylmethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 166628313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).