1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine

C9H14F2N4 — CID 50896778

IUPAC1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine
SMILESFC(F)n1nccc1CN1CCNCC1
InChIInChI=1S/C9H14F2N4/c10-9(11)15-8(1-2-13-15)7-14-5-3-12-4-6-14/h1-2,9,12H,3-7H2
InChIKeyKQPDVIWSNFBQIS-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.68
Rot. Bonds3

About 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine

1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine (PubChem CID 50896778) has the molecular formula C9H14F2N4 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine
PubChem CID50896778
Molecular FormulaC9H14F2N4
Molecular Weight216.23 g/mol
Exact Mass216.12
IUPAC Name1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine
SMILESFC(F)n1nccc1CN1CCNCC1
InChIInChI=1S/C9H14F2N4/c10-9(11)15-8(1-2-13-15)7-14-5-3-12-4-6-14/h1-2,9,12H,3-7H2
InChIKeyKQPDVIWSNFBQIS-UHFFFAOYSA-N
XLogP0.68
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine?
The IUPAC name of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine (CID 50896778) is 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine is FC(F)n1nccc1CN1CCNCC1.
What is the InChIKey of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine?
The InChIKey is KQPDVIWSNFBQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4/c10-9(11)15-8(1-2-13-15)7-14-5-3-12-4-6-14/h1-2,9,12H,3-7H2.
What are the key properties of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine?
1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine has a molecular weight of 216.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperazine is sourced from PubChem (CID 50896778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).