1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine

C13H22F2N4 — CID 176675578

IUPAC1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC(F)F)C(c2cnn(C)c2)C1
InChIInChI=1S/C13H22F2N4/c1-10(2)18-4-5-19(9-13(14)15)12(8-18)11-6-16-17(3)7-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3
InChIKeyJKBZDPHGZQBZFR-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.75
Rot. Bonds4

About 1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine

1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine (PubChem CID 176675578) has the molecular formula C13H22F2N4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine
PubChem CID176675578
Molecular FormulaC13H22F2N4
Molecular Weight272.34 g/mol
Exact Mass272.18
IUPAC Name1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC(F)F)C(c2cnn(C)c2)C1
InChIInChI=1S/C13H22F2N4/c1-10(2)18-4-5-19(9-13(14)15)12(8-18)11-6-16-17(3)7-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3
InChIKeyJKBZDPHGZQBZFR-UHFFFAOYSA-N
XLogP1.75
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine (CID 176675578) is 1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(CC(F)F)C(c2cnn(C)c2)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine?
The InChIKey is JKBZDPHGZQBZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4/c1-10(2)18-4-5-19(9-13(14)15)12(8-18)11-6-16-17(3)7-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine?
1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine has a molecular weight of 272.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(1-methylpyrazol-4-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 176675578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).