1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol

C21H22F4N6O — CID 59321888

IUPAC1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol
SMILESOC(Cn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1)C(F)(F)F
InChIInChI=1S/C21H22F4N6O/c22-17-3-1-16(2-4-17)19-20(27-6-5-26-19)30-9-7-29(8-10-30)12-15-11-28-31(13-15)14-18(32)21(23,24)25/h1-6,11,13,18,32H,7-10,12,14H2
InChIKeyHDAAYASMDPRBPJ-UHFFFAOYSA-N
MW450.44 g/mol
LogP2.72
Rot. Bonds6

About 1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol (PubChem CID 59321888) has the molecular formula C21H22F4N6O and a molecular weight of 450.44 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol
PubChem CID59321888
Molecular FormulaC21H22F4N6O
Molecular Weight450.44 g/mol
Exact Mass450.18
IUPAC Name1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol
SMILESOC(Cn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1)C(F)(F)F
InChIInChI=1S/C21H22F4N6O/c22-17-3-1-16(2-4-17)19-20(27-6-5-26-19)30-9-7-29(8-10-30)12-15-11-28-31(13-15)14-18(32)21(23,24)25/h1-6,11,13,18,32H,7-10,12,14H2
InChIKeyHDAAYASMDPRBPJ-UHFFFAOYSA-N
XLogP2.72
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]-3-methylbutan-2-ol;hydrochloride
CID 68594772
2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride
CID 68597368
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
CID 59321903
1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 59321981
2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride
CID 68594249
2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
CID 59321838
2-(5-fluoro-2-methylphenyl)-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine;hydrochloride
CID 68596307
2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 59321824
3-[4-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]pyrazol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 130376972
2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;hydrochloride
CID 68596950
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 59321897
2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
CID 59321922

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol (CID 59321888) is 1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol is OC(Cn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol?
The InChIKey is HDAAYASMDPRBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N6O/c22-17-3-1-16(2-4-17)19-20(27-6-5-26-19)30-9-7-29(8-10-30)12-15-11-28-31(13-15)14-18(32)21(23,24)25/h1-6,11,13,18,32H,7-10,12,14H2.
What are the key properties of 1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol has a molecular weight of 450.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 59321888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).