1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid

C15H20F3N3O3 — CID 154744873

IUPAC1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid
SMILESCc1cn(C(C)(C)C(=O)N2CCCC(C(=O)O)C2)nc1C(F)(F)F
InChIInChI=1S/C15H20F3N3O3/c1-9-7-21(19-11(9)15(16,17)18)14(2,3)13(24)20-6-4-5-10(8-20)12(22)23/h7,10H,4-6,8H2,1-3H3,(H,22,23)
InChIKeyIGPFCBXKKSORGE-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.27
Rot. Bonds3

About 1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid

1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid (PubChem CID 154744873) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid
PubChem CID154744873
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid
SMILESCc1cn(C(C)(C)C(=O)N2CCCC(C(=O)O)C2)nc1C(F)(F)F
InChIInChI=1S/C15H20F3N3O3/c1-9-7-21(19-11(9)15(16,17)18)14(2,3)13(24)20-6-4-5-10(8-20)12(22)23/h7,10H,4-6,8H2,1-3H3,(H,22,23)
InChIKeyIGPFCBXKKSORGE-UHFFFAOYSA-N
XLogP2.27
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122007451
(3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 81120268
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-3-carboxylic acid
CID 65269823
1-[(1-tert-butyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089621
1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 119167919
(3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 119174314
1-[[4-(1,1-difluoroethyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015342
1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 43355789
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
1-acetylpiperidine-3-carboxylic acid
CID 14043896
tert-butyl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
CID 102216136

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid (CID 154744873) is 1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid is Cc1cn(C(C)(C)C(=O)N2CCCC(C(=O)O)C2)nc1C(F)(F)F.
What is the InChIKey of 1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid?
The InChIKey is IGPFCBXKKSORGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-9-7-21(19-11(9)15(16,17)18)14(2,3)13(24)20-6-4-5-10(8-20)12(22)23/h7,10H,4-6,8H2,1-3H3,(H,22,23).
What are the key properties of 1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid?
1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid has a molecular weight of 347.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 154744873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).