4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide

C16H25F3N4O2 — CID 74231586

IUPAC4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)C2(O)CCN(C)CC2)n1
InChIInChI=1S/C16H25F3N4O2/c1-11(10-23-13(16(17,18)19)8-12(2)21-23)9-20-14(24)15(25)4-6-22(3)7-5-15/h8,11,25H,4-7,9-10H2,1-3H3,(H,20,24)
InChIKeyIDGBGDVKGSZPEG-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.42
Rot. Bonds5

About 4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide

4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide (PubChem CID 74231586) has the molecular formula C16H25F3N4O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide
PubChem CID74231586
Molecular FormulaC16H25F3N4O2
Molecular Weight362.40 g/mol
Exact Mass362.19
IUPAC Name4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)C2(O)CCN(C)CC2)n1
InChIInChI=1S/C16H25F3N4O2/c1-11(10-23-13(16(17,18)19)8-12(2)21-23)9-20-14(24)15(25)4-6-22(3)7-5-15/h8,11,25H,4-7,9-10H2,1-3H3,(H,20,24)
InChIKeyIDGBGDVKGSZPEG-UHFFFAOYSA-N
XLogP1.42
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide 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-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide
CID 125173289
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-hydroxythiane-4-carboxamide
CID 97329970
2-(carbamoylamino)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 125172003
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 72930708
1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(thiadiazol-5-yl)urea
CID 97445727
1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(thiadiazol-5-yl)urea
CID 72902115
2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide
CID 125166887
1-(2H-benzotriazol-5-yl)-3-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]urea
CID 118786909
(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 42574565
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430633
N-butan-2-yl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521887
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936610

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide (CID 74231586) is 4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide is Cc1cc(C(F)(F)F)n(CC(C)CNC(=O)C2(O)CCN(C)CC2)n1.
What is the InChIKey of 4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide?
The InChIKey is IDGBGDVKGSZPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O2/c1-11(10-23-13(16(17,18)19)8-12(2)21-23)9-20-14(24)15(25)4-6-22(3)7-5-15/h8,11,25H,4-7,9-10H2,1-3H3,(H,20,24).
What are the key properties of 4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide?
4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 74231586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).