4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid

C18H19F3N4O3 — CID 130237892

IUPAC4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C18H19F3N4O3/c1-11-8-15(18(19,20)21)23-25(11)10-16(26)24-6-3-12(4-7-24)13-2-5-22-14(9-13)17(27)28/h2,5,8-9,12H,3-4,6-7,10H2,1H3,(H,27,28)
InChIKeyRLEVYYIMPXXGBE-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.71
Rot. Bonds4

About 4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid

4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid (PubChem CID 130237892) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid
PubChem CID130237892
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C18H19F3N4O3/c1-11-8-15(18(19,20)21)23-25(11)10-16(26)24-6-3-12(4-7-24)13-2-5-22-14(9-13)17(27)28/h2,5,8-9,12H,3-4,6-7,10H2,1H3,(H,27,28)
InChIKeyRLEVYYIMPXXGBE-UHFFFAOYSA-N
XLogP2.71
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid 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-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carbothioamide;sulfane
CID 87569282
4-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide
CID 122604507
1-[4-[4-(hydroxyiminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 86631243
2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine
CID 171923658
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 90716860
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(2S)-2-phenyl-2,3-dihydro-1H-pyrrol-4-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 141410817
[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamic acid;phenoxybenzene
CID 162068198
N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66796336
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 136543370
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 142843300
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3H-1,3-thiazole-2-carboxylic acid
CID 154014667

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid (CID 130237892) is 4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2ccnc(C(=O)O)c2)CC1.
What is the InChIKey of 4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid?
The InChIKey is RLEVYYIMPXXGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-11-8-15(18(19,20)21)23-25(11)10-16(26)24-6-3-12(4-7-24)13-2-5-22-14(9-13)17(27)28/h2,5,8-9,12H,3-4,6-7,10H2,1H3,(H,27,28).
What are the key properties of 4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid?
4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid has a molecular weight of 396.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 130237892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).