4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine

C12H18F3N3 — CID 176692263

IUPAC4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2c(F)cnn2C(F)F)CC1
InChIInChI=1S/C12H18F3N3/c1-8(2)17-5-3-9(4-6-17)11-10(13)7-16-18(11)12(14)15/h7-9,12H,3-6H2,1-2H3
InChIKeyQMOAPRWKBKJXPZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.01
Rot. Bonds3

About 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine

4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine (PubChem CID 176692263) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine
PubChem CID176692263
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2c(F)cnn2C(F)F)CC1
InChIInChI=1S/C12H18F3N3/c1-8(2)17-5-3-9(4-6-17)11-10(13)7-16-18(11)12(14)15/h7-9,12H,3-6H2,1-2H3
InChIKeyQMOAPRWKBKJXPZ-UHFFFAOYSA-N
XLogP3.01
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine (CID 176692263) is 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine is CC(C)N1CCC(c2c(F)cnn2C(F)F)CC1.
What is the InChIKey of 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine?
The InChIKey is QMOAPRWKBKJXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(2)17-5-3-9(4-6-17)11-10(13)7-16-18(11)12(14)15/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine?
4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine has a molecular weight of 261.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 176692263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).