1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid

C15H18F3N3O3 — CID 154848078

IUPAC1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)CCC1C(=O)O
InChIInChI=1S/C15H18F3N3O3/c1-8-7-20(5-4-10(8)14(23)24)13(22)11-6-12(15(16,17)18)19-21(11)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,23,24)
InChIKeyKNXVMZDXIFAWOV-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.42
Rot. Bonds3

About 1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid

1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid (PubChem CID 154848078) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid
PubChem CID154848078
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)CCC1C(=O)O
InChIInChI=1S/C15H18F3N3O3/c1-8-7-20(5-4-10(8)14(23)24)13(22)11-6-12(15(16,17)18)19-21(11)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,23,24)
InChIKeyKNXVMZDXIFAWOV-UHFFFAOYSA-N
XLogP2.42
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione
CID 154847356
N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide
CID 154847395
[(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 154847298
N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide
CID 154847412
11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione
CID 167768682
3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid
CID 154848071
3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 114278485
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 39891621
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354004
ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 144862608
3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 130516067
(3S,4S)-1-(3-fluoro-2-methylbenzoyl)-3-methylpiperidine-4-carboxylic acid
CID 154842624

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid (CID 154848078) is 1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid is CC1CN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)CCC1C(=O)O.
What is the InChIKey of 1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid?
The InChIKey is KNXVMZDXIFAWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-8-7-20(5-4-10(8)14(23)24)13(22)11-6-12(15(16,17)18)19-21(11)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,23,24).
What are the key properties of 1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid?
1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid has a molecular weight of 345.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 154848078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).