[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C14H15F3N6O — CID 56814513

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3cnccn3)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N6O/c1-21-9-10(12(20-21)14(15,16)17)13(24)23-6-4-22(5-7-23)11-8-18-2-3-19-11/h2-3,8-9H,4-7H2,1H3
InChIKeyGVNCJBVMCOGMDJ-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.19
Rot. Bonds2

About [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 56814513) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID56814513
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3cnccn3)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N6O/c1-21-9-10(12(20-21)14(15,16)17)13(24)23-6-4-22(5-7-23)11-8-18-2-3-19-11/h2-3,8-9H,4-7H2,1H3
InChIKeyGVNCJBVMCOGMDJ-UHFFFAOYSA-N
XLogP1.19
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-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

(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95341824
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95758998
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 111561271
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33113092
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-(4-pyrazin-2-ylpiperazin-1-yl)octan-1-one
CID 13298553

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 56814513) is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is Cn1cc(C(=O)N2CCN(c3cnccn3)CC2)c(C(F)(F)F)n1.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GVNCJBVMCOGMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c1-21-9-10(12(20-21)14(15,16)17)13(24)23-6-4-22(5-7-23)11-8-18-2-3-19-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 340.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56814513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).