4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid

C15H16F3N5O2 — CID 70732256

IUPAC4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3nccc(C(F)(F)F)n3)CC2)c1
InChIInChI=1S/C15H16F3N5O2/c1-10-8-20-23(9-10)14(12(24)25)3-6-22(7-4-14)13-19-5-2-11(21-13)15(16,17)18/h2,5,8-9H,3-4,6-7H2,1H3,(H,24,25)
InChIKeyRANOMPVKLGDSTP-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.08
Rot. Bonds3

About 4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid

4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid (PubChem CID 70732256) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
PubChem CID70732256
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3nccc(C(F)(F)F)n3)CC2)c1
InChIInChI=1S/C15H16F3N5O2/c1-10-8-20-23(9-10)14(12(24)25)3-6-22(7-4-14)13-19-5-2-11(21-13)15(16,17)18/h2,5,8-9H,3-4,6-7H2,1H3,(H,24,25)
InChIKeyRANOMPVKLGDSTP-UHFFFAOYSA-N
XLogP2.08
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-isopropyl-1H-pyrazol-1-yl)-1-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56888148
4-(3-tert-butyl-1H-pyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 56888482
1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-isopropyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56905619
1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56909040
1-(4-aminopyrimidin-2-yl)-4-(3-tert-butyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56912523
1-(2-aminopyrimidin-4-yl)-4-(3-tert-butyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 70751067
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidine-4-carboxylic acid
CID 56896379
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[4-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56905596
4-(3-tert-butyl-1H-pyrazol-1-yl)-1-[(2-isopropylpyrimidin-4-yl)methyl]piperidine-4-carboxylic acid
CID 70731290
1-[2-(1,4-Dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 170783080
1-[5-Fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 70731285
1-(5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid
CID 97619301

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid (CID 70732256) is 4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(c3nccc(C(F)(F)F)n3)CC2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is RANOMPVKLGDSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-10-8-20-23(9-10)14(12(24)25)3-6-22(7-4-14)13-19-5-2-11(21-13)15(16,17)18/h2,5,8-9H,3-4,6-7H2,1H3,(H,24,25).
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 355.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 70732256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).