4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole

C24H20Cl2N2O2 — CID 19586867

IUPAC4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole
SMILESCOc1ccccc1-c1nn(Cc2ccc(Cl)cc2)c(-c2ccccc2OC)c1Cl
InChIInChI=1S/C24H20Cl2N2O2/c1-29-20-9-5-3-7-18(20)23-22(26)24(19-8-4-6-10-21(19)30-2)28(27-23)15-16-11-13-17(25)14-12-16/h3-14H,15H2,1-2H3
InChIKeyGSPAGWPMGUHWDV-UHFFFAOYSA-N
MW439.34 g/mol
LogP6.59
Rot. Bonds6

About 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole

4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole (PubChem CID 19586867) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole
PubChem CID19586867
Molecular FormulaC24H20Cl2N2O2
Molecular Weight439.34 g/mol
Exact Mass438.09
IUPAC Name4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole
SMILESCOc1ccccc1-c1nn(Cc2ccc(Cl)cc2)c(-c2ccccc2OC)c1Cl
InChIInChI=1S/C24H20Cl2N2O2/c1-29-20-9-5-3-7-18(20)23-22(26)24(19-8-4-6-10-21(19)30-2)28(27-23)15-16-11-13-17(25)14-12-16/h3-14H,15H2,1-2H3
InChIKeyGSPAGWPMGUHWDV-UHFFFAOYSA-N
XLogP6.59
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole?
The IUPAC name of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole (CID 19586867) is 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole?
The canonical SMILES for 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole is COc1ccccc1-c1nn(Cc2ccc(Cl)cc2)c(-c2ccccc2OC)c1Cl.
What is the InChIKey of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole?
The InChIKey is GSPAGWPMGUHWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c1-29-20-9-5-3-7-18(20)23-22(26)24(19-8-4-6-10-21(19)30-2)28(27-23)15-16-11-13-17(25)14-12-16/h3-14H,15H2,1-2H3.
What are the key properties of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole?
4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole has a molecular weight of 439.34 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole is sourced from PubChem (CID 19586867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).