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

N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
CID 118450657
1-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indazole
CID 3239674
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309752
N-ethyl-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191808
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
N-(3,4-difluorophenyl)-1-(1H-pyrazol-1-ylacetyl)-3-piperidinamine
CID 24790849
1-(2-fluorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24791424
1-{1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24791460
1-(4-fluorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24791750
1-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24793812
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
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).