(4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone

C21H19F3N4O — CID 3663076

IUPAC(4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)19-18(15-25-28(19)17-9-5-2-6-10-17)20(29)27-13-11-26(12-14-27)16-7-3-1-4-8-16/h1-10,15H,11-14H2
InChIKeyPYTMMOFKNDZCID-UHFFFAOYSA-N
MW400.40 g/mol
LogP3.85
Rot. Bonds3

About (4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone

(4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone (PubChem CID 3663076) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
PubChem CID3663076
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name(4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)19-18(15-25-28(19)17-9-5-2-6-10-17)20(29)27-13-11-26(12-14-27)16-7-3-1-4-8-16/h1-10,15H,11-14H2
InChIKeyPYTMMOFKNDZCID-UHFFFAOYSA-N
XLogP3.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone (CID 3663076) is (4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone is O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The InChIKey is PYTMMOFKNDZCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c22-21(23,24)19-18(15-25-28(19)17-9-5-2-6-10-17)20(29)27-13-11-26(12-14-27)16-7-3-1-4-8-16/h1-10,15H,11-14H2.
What are the key properties of (4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
(4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone has a molecular weight of 400.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 3663076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).