(2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C15H17F3N6O — CID 131943333

IUPAC(2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3ccnn3C)CC2)n1
InChIInChI=1S/C15H17F3N6O/c1-10-9-12(15(16,17)18)21-14(20-10)24-7-5-23(6-8-24)13(25)11-3-4-19-22(11)2/h3-4,9H,5-8H2,1-2H3
InChIKeyRSONUSMTILYOIS-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.50
Rot. Bonds2

About (2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

(2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 131943333) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID131943333
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name(2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3ccnn3C)CC2)n1
InChIInChI=1S/C15H17F3N6O/c1-10-9-12(15(16,17)18)21-14(20-10)24-7-5-23(6-8-24)13(25)11-3-4-19-22(11)2/h3-4,9H,5-8H2,1-2H3
InChIKeyRSONUSMTILYOIS-UHFFFAOYSA-N
XLogP1.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone 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

(2-methylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631552
[4-(hydroxymethyl)phenyl]-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 72852959
1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 70760220
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70730518
1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 44824534
(2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92566215
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6468388
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122333070
(4-chlorophenyl)-[4-[(3S,4S)-4-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 58683592
(4-chlorophenyl)-[4-[(3R,4R)-4-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 58451078

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 131943333) is (2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3ccnn3C)CC2)n1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is RSONUSMTILYOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-10-9-12(15(16,17)18)21-14(20-10)24-7-5-23(6-8-24)13(25)11-3-4-19-22(11)2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of (2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 354.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 131943333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).