1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one

C18H24F3N4O2+ — CID 7764983

IUPAC1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one
SMILESCC1=NN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C18H23F3N4O2/c1-14-13-17(27,18(19,20)21)25(22-14)16(26)7-8-23-9-11-24(12-10-23)15-5-3-2-4-6-15/h2-6,27H,7-13H2,1H3/p+1/t17-/m1/s1
InChIKeyVODFIRUKJBNHJP-QGZVFWFLSA-O
MW385.41 g/mol
LogP0.64
Rot. Bonds4

About 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one

1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one (PubChem CID 7764983) has the molecular formula C18H24F3N4O2+ and a molecular weight of 385.41 g/mol. Its IUPAC name is 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one
PubChem CID7764983
Molecular FormulaC18H24F3N4O2+
Molecular Weight385.41 g/mol
Exact Mass385.18
IUPAC Name1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one
SMILESCC1=NN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C18H23F3N4O2/c1-14-13-17(27,18(19,20)21)25(22-14)16(26)7-8-23-9-11-24(12-10-23)15-5-3-2-4-6-15/h2-6,27H,7-13H2,1H3/p+1/t17-/m1/s1
InChIKeyVODFIRUKJBNHJP-QGZVFWFLSA-O
XLogP0.64
TPSA60.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one 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

1-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 781829
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 578749
(2S)-2-hydroxy-1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 1093085
[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-2-ylmethanone
CID 1205463
ethyl 5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
CID 4620847
1-[(5R)-5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenylpropan-1-one
CID 126062964
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
CID 615660
[(5R)-5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 126009084
3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide
CID 2649187
3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
CID 7891809
1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 3123679
(5-tert-butyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)-phenylmethanone
CID 3101234

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one?
The IUPAC name of 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one (CID 7764983) is 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one.
What is the SMILES notation for 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one?
The canonical SMILES for 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one is CC1=NN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@](O)(C(F)(F)F)C1.
What is the InChIKey of 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one?
The InChIKey is VODFIRUKJBNHJP-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H23F3N4O2/c1-14-13-17(27,18(19,20)21)25(22-14)16(26)7-8-23-9-11-24(12-10-23)15-5-3-2-4-6-15/h2-6,27H,7-13H2,1H3/p+1/t17-/m1/s1.
What are the key properties of 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one?
1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one has a molecular weight of 385.41 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one is sourced from PubChem (CID 7764983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).