4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine

C23H27FN4O — CID 70779659

IUPAC4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine
SMILESCOc1ccc(-n2cc(CN3CCN(C)C(C)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H27FN4O/c1-17-14-27(12-11-26(17)2)15-19-16-28(21-7-9-22(29-3)10-8-21)25-23(19)18-5-4-6-20(24)13-18/h4-10,13,16-17H,11-12,14-15H2,1-3H3
InChIKeyWTDJZNXVYWNJNR-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.82
Rot. Bonds5

About 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine

4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine (PubChem CID 70779659) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine
PubChem CID70779659
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine
SMILESCOc1ccc(-n2cc(CN3CCN(C)C(C)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H27FN4O/c1-17-14-27(12-11-26(17)2)15-19-16-28(21-7-9-22(29-3)10-8-21)25-23(19)18-5-4-6-20(24)13-18/h4-10,13,16-17H,11-12,14-15H2,1-3H3
InChIKeyWTDJZNXVYWNJNR-UHFFFAOYSA-N
XLogP3.82
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine?
The IUPAC name of 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine (CID 70779659) is 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine?
The canonical SMILES for 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine is COc1ccc(-n2cc(CN3CCN(C)C(C)C3)c(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine?
The InChIKey is WTDJZNXVYWNJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-17-14-27(12-11-26(17)2)15-19-16-28(21-7-9-22(29-3)10-8-21)25-23(19)18-5-4-6-20(24)13-18/h4-10,13,16-17H,11-12,14-15H2,1-3H3.
What are the key properties of 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine?
4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine has a molecular weight of 394.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1,2-dimethylpiperazine is sourced from PubChem (CID 70779659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).