1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole

C23H19ClN2O — CID 174958286

IUPAC1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole
SMILESCOc1ccc(-c2ccccc2-n2nc(C)cc2-c2ccccc2)cc1Cl
InChIInChI=1S/C23H19ClN2O/c1-16-14-22(17-8-4-3-5-9-17)26(25-16)21-11-7-6-10-19(21)18-12-13-23(27-2)20(24)15-18/h3-15H,1-2H3
InChIKeyABTOBZOWUDQIBR-UHFFFAOYSA-N
MW374.87 g/mol
LogP6.18
Rot. Bonds4

About 1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole

1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole (PubChem CID 174958286) has the molecular formula C23H19ClN2O and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole.

Molecular Properties

Compound Name1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole
PubChem CID174958286
Molecular FormulaC23H19ClN2O
Molecular Weight374.87 g/mol
Exact Mass374.12
IUPAC Name1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole
SMILESCOc1ccc(-c2ccccc2-n2nc(C)cc2-c2ccccc2)cc1Cl
InChIInChI=1S/C23H19ClN2O/c1-16-14-22(17-8-4-3-5-9-17)26(25-16)21-11-7-6-10-19(21)18-12-13-23(27-2)20(24)15-18/h3-15H,1-2H3
InChIKeyABTOBZOWUDQIBR-UHFFFAOYSA-N
XLogP6.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole?
The IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole (CID 174958286) is 1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole.
What is the SMILES notation for 1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole?
The canonical SMILES for 1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole is COc1ccc(-c2ccccc2-n2nc(C)cc2-c2ccccc2)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole?
The InChIKey is ABTOBZOWUDQIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O/c1-16-14-22(17-8-4-3-5-9-17)26(25-16)21-11-7-6-10-19(21)18-12-13-23(27-2)20(24)15-18/h3-15H,1-2H3.
What are the key properties of 1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole?
1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole has a molecular weight of 374.87 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole is sourced from PubChem (CID 174958286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).