1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine

C16H24F2N6 — CID 71857315

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine
SMILESCn1cc(CCCN2CCN(Cc3nccn3C(F)F)CC2)cn1
InChIInChI=1S/C16H24F2N6/c1-21-12-14(11-20-21)3-2-5-22-7-9-23(10-8-22)13-15-19-4-6-24(15)16(17)18/h4,6,11-12,16H,2-3,5,7-10,13H2,1H3
InChIKeyIFKMUOKHULPOFR-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.76
Rot. Bonds7

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine (PubChem CID 71857315) has the molecular formula C16H24F2N6 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine
PubChem CID71857315
Molecular FormulaC16H24F2N6
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine
SMILESCn1cc(CCCN2CCN(Cc3nccn3C(F)F)CC2)cn1
InChIInChI=1S/C16H24F2N6/c1-21-12-14(11-20-21)3-2-5-22-7-9-23(10-8-22)13-15-19-4-6-24(15)16(17)18/h4,6,11-12,16H,2-3,5,7-10,13H2,1H3
InChIKeyIFKMUOKHULPOFR-UHFFFAOYSA-N
XLogP1.76
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine (CID 71857315) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine is Cn1cc(CCCN2CCN(Cc3nccn3C(F)F)CC2)cn1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine?
The InChIKey is IFKMUOKHULPOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N6/c1-21-12-14(11-20-21)3-2-5-22-7-9-23(10-8-22)13-15-19-4-6-24(15)16(17)18/h4,6,11-12,16H,2-3,5,7-10,13H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine has a molecular weight of 338.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine is sourced from PubChem (CID 71857315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).