2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

C14H15F3N6O — CID 91631511

IUPAC2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H15F3N6O/c15-14(16,17)11-8-12(19-10-18-11)21-4-6-22(7-5-21)13(24)9-23-3-1-2-20-23/h1-3,8,10H,4-7,9H2
InChIKeyXPNVMJDOWNUQPI-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.04
Rot. Bonds3

About 2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 91631511) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID91631511
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC Name2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H15F3N6O/c15-14(16,17)11-8-12(19-10-18-11)21-4-6-22(7-5-21)13(24)9-23-3-1-2-20-23/h1-3,8,10H,4-7,9H2
InChIKeyXPNVMJDOWNUQPI-UHFFFAOYSA-N
XLogP1.04
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 91631511) is 2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is O=C(Cn1cccn1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is XPNVMJDOWNUQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c15-14(16,17)11-8-12(19-10-18-11)21-4-6-22(7-5-21)13(24)9-23-3-1-2-20-23/h1-3,8,10H,4-7,9H2.
What are the key properties of 2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 340.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 91631511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).