1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone

C16H17F3N4O — CID 56789027

IUPAC1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCN(C(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)14(12-4-2-1-3-5-12)22-8-10-23(11-9-22)15(24)13-6-7-20-21-13/h1-7,14H,8-11H2,(H,20,21)
InChIKeyRFWQNWPZGHFNJE-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.47
Rot. Bonds3

About 1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone

1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone (PubChem CID 56789027) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone
PubChem CID56789027
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCN(C(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)14(12-4-2-1-3-5-12)22-8-10-23(11-9-22)15(24)13-6-7-20-21-13/h1-7,14H,8-11H2,(H,20,21)
InChIKeyRFWQNWPZGHFNJE-UHFFFAOYSA-N
XLogP2.47
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 24864082
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 11268094
Pyrazole diamide, 25
CID 24971319
Pyrazole diamide, 27
CID 24971321
Pyrazole diamide, 30
CID 24971322
Cdkl5/gsk3-IN-1
CID 59733332
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 23056741
2-[4-(4-Chloro-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24811298
1-(4-Fluorophenyl)-2-[4-(5-methyl-2H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811418
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone (CID 56789027) is 1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone is O=C(c1ccn[nH]1)N1CCN(C(c2ccccc2)C(F)(F)F)CC1.
What is the InChIKey of 1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is RFWQNWPZGHFNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)14(12-4-2-1-3-5-12)22-8-10-23(11-9-22)15(24)13-6-7-20-21-13/h1-7,14H,8-11H2,(H,20,21).
What are the key properties of 1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone?
1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 338.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56789027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).