3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one

C22H28F3N5O — CID 24817364

IUPAC3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cccn1)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C22H28F3N5O/c23-22(24,25)18-4-1-5-19(16-18)27-12-14-28(15-13-27)20-6-2-9-29(17-20)21(31)7-11-30-10-3-8-26-30/h1,3-5,8,10,16,20H,2,6-7,9,11-15,17H2
InChIKeyMEYSZYZATLRMHL-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.11
Rot. Bonds5

About 3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one

3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 24817364) has the molecular formula C22H28F3N5O and a molecular weight of 435.49 g/mol. Its IUPAC name is 3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID24817364
Molecular FormulaC22H28F3N5O
Molecular Weight435.49 g/mol
Exact Mass435.22
IUPAC Name3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cccn1)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C22H28F3N5O/c23-22(24,25)18-4-1-5-19(16-18)27-12-14-28(15-13-27)20-6-2-9-29(17-20)21(31)7-11-30-10-3-8-26-30/h1,3-5,8,10,16,20H,2,6-7,9,11-15,17H2
InChIKeyMEYSZYZATLRMHL-UHFFFAOYSA-N
XLogP3.11
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 118450657
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CID 3239674
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CID 5309752
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CID 16191808
CID 16191808
CID 24790635
CID 24790635
CID 24790849
CID 24790849
CID 24791424
CID 24791424
CID 24791460
CID 24791460
CID 24791750
CID 24791750
CID 24793812
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CID 24816994
CID 24816994

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one (CID 24817364) is 3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one is O=C(CCn1cccn1)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of 3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is MEYSZYZATLRMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5O/c23-22(24,25)18-4-1-5-19(16-18)27-12-14-28(15-13-27)20-6-2-9-29(17-20)21(31)7-11-30-10-3-8-26-30/h1,3-5,8,10,16,20H,2,6-7,9,11-15,17H2.
What are the key properties of 3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one?
3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 435.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 24817364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).