1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine

C23H26F3N5 — CID 59321897

IUPAC1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
SMILESCC(C)n1cc(CN2CCN(c3ncccc3-c3ccc(C(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C23H26F3N5/c1-17(2)31-16-18(14-28-31)15-29-10-12-30(13-11-29)22-21(4-3-9-27-22)19-5-7-20(8-6-19)23(24,25)26/h3-9,14,16-17H,10-13,15H2,1-2H3
InChIKeyHEPGUTXGIONIKE-UHFFFAOYSA-N
MW429.49 g/mol
LogP4.87
Rot. Bonds5

About 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine

1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine (PubChem CID 59321897) has the molecular formula C23H26F3N5 and a molecular weight of 429.49 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
PubChem CID59321897
Molecular FormulaC23H26F3N5
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC Name1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
SMILESCC(C)n1cc(CN2CCN(c3ncccc3-c3ccc(C(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C23H26F3N5/c1-17(2)31-16-18(14-28-31)15-29-10-12-30(13-11-29)22-21(4-3-9-27-22)19-5-7-20(8-6-19)23(24,25)26/h3-9,14,16-17H,10-13,15H2,1-2H3
InChIKeyHEPGUTXGIONIKE-UHFFFAOYSA-N
XLogP4.87
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine (CID 59321897) is 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine is CC(C)n1cc(CN2CCN(c3ncccc3-c3ccc(C(F)(F)F)cc3)CC2)cn1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
The InChIKey is HEPGUTXGIONIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5/c1-17(2)31-16-18(14-28-31)15-29-10-12-30(13-11-29)22-21(4-3-9-27-22)19-5-7-20(8-6-19)23(24,25)26/h3-9,14,16-17H,10-13,15H2,1-2H3.
What are the key properties of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine has a molecular weight of 429.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 59321897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).