[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C23H23F3N4O2 — CID 10003566

IUPAC[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-n2nc(C)cc2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C23H23F3N4O2/c1-16-13-21(30(27-16)19-7-4-8-20(15-19)32-2)22(31)29-11-9-28(10-12-29)18-6-3-5-17(14-18)23(24,25)26/h3-8,13-15H,9-12H2,1-2H3
InChIKeyWLFOHPWUQLMVKP-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.17
Rot. Bonds4

About [2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 10003566) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID10003566
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-n2nc(C)cc2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C23H23F3N4O2/c1-16-13-21(30(27-16)19-7-4-8-20(15-19)32-2)22(31)29-11-9-28(10-12-29)18-6-3-5-17(14-18)23(24,25)26/h3-8,13-15H,9-12H2,1-2H3
InChIKeyWLFOHPWUQLMVKP-UHFFFAOYSA-N
XLogP4.17
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 10003566) is [2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is COc1cccc(-n2nc(C)cc2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is WLFOHPWUQLMVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-16-13-21(30(27-16)19-7-4-8-20(15-19)32-2)22(31)29-11-9-28(10-12-29)18-6-3-5-17(14-18)23(24,25)26/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of [2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 444.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 10003566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).