[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

C14H17F3N6O — CID 166254332

IUPAC[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCN(c3cnn(C)c3)CC2)c1C(F)(F)F
InChIInChI=1S/C14H17F3N6O/c1-9-11(14(15,16)17)12(20-19-9)13(24)23-5-3-22(4-6-23)10-7-18-21(2)8-10/h7-8H,3-6H2,1-2H3,(H,19,20)
InChIKeyZGRBCZTVQLVBPZ-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.43
Rot. Bonds2

About [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 166254332) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
PubChem CID166254332
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCN(c3cnn(C)c3)CC2)c1C(F)(F)F
InChIInChI=1S/C14H17F3N6O/c1-9-11(14(15,16)17)12(20-19-9)13(24)23-5-3-22(4-6-23)10-7-18-21(2)8-10/h7-8H,3-6H2,1-2H3,(H,19,20)
InChIKeyZGRBCZTVQLVBPZ-UHFFFAOYSA-N
XLogP1.43
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (CID 166254332) is [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is Cc1[nH]nc(C(=O)N2CCN(c3cnn(C)c3)CC2)c1C(F)(F)F.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is ZGRBCZTVQLVBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-9-11(14(15,16)17)12(20-19-9)13(24)23-5-3-22(4-6-23)10-7-18-21(2)8-10/h7-8H,3-6H2,1-2H3,(H,19,20).
What are the key properties of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 342.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 166254332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).