1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole

C26H24ClFN2O2 — CID 19586967

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole
SMILESCCc1c(-c2cccc(OC)c2)nn(Cc2c(F)cccc2Cl)c1-c1cccc(OC)c1
InChIInChI=1S/C26H24ClFN2O2/c1-4-21-25(17-8-5-10-19(14-17)31-2)29-30(16-22-23(27)12-7-13-24(22)28)26(21)18-9-6-11-20(15-18)32-3/h5-15H,4,16H2,1-3H3
InChIKeyMUNGDAJUDFQGAW-UHFFFAOYSA-N
MW450.94 g/mol
LogP6.64
Rot. Bonds7

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole

1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole (PubChem CID 19586967) has the molecular formula C26H24ClFN2O2 and a molecular weight of 450.94 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole
PubChem CID19586967
Molecular FormulaC26H24ClFN2O2
Molecular Weight450.94 g/mol
Exact Mass450.15
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole
SMILESCCc1c(-c2cccc(OC)c2)nn(Cc2c(F)cccc2Cl)c1-c1cccc(OC)c1
InChIInChI=1S/C26H24ClFN2O2/c1-4-21-25(17-8-5-10-19(14-17)31-2)29-30(16-22-23(27)12-7-13-24(22)28)26(21)18-9-6-11-20(15-18)32-3/h5-15H,4,16H2,1-3H3
InChIKeyMUNGDAJUDFQGAW-UHFFFAOYSA-N
XLogP6.64
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.94
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole (CID 19586967) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole is CCc1c(-c2cccc(OC)c2)nn(Cc2c(F)cccc2Cl)c1-c1cccc(OC)c1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole?
The InChIKey is MUNGDAJUDFQGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O2/c1-4-21-25(17-8-5-10-19(14-17)31-2)29-30(16-22-23(27)12-7-13-24(22)28)26(21)18-9-6-11-20(15-18)32-3/h5-15H,4,16H2,1-3H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole?
1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole has a molecular weight of 450.94 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole is sourced from PubChem (CID 19586967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).