4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine

C10H14F3N3 — CID 176692395

IUPAC4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine
SMILESCN1CCC(c2c(F)cnn2C(F)F)CC1
InChIInChI=1S/C10H14F3N3/c1-15-4-2-7(3-5-15)9-8(11)6-14-16(9)10(12)13/h6-7,10H,2-5H2,1H3
InChIKeyQFJUGUGMQKFREX-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.23
Rot. Bonds2

About 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine

4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine (PubChem CID 176692395) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine
PubChem CID176692395
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine
SMILESCN1CCC(c2c(F)cnn2C(F)F)CC1
InChIInChI=1S/C10H14F3N3/c1-15-4-2-7(3-5-15)9-8(11)6-14-16(9)10(12)13/h6-7,10H,2-5H2,1H3
InChIKeyQFJUGUGMQKFREX-UHFFFAOYSA-N
XLogP2.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.23
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-methylpiperidine?
The IUPAC name of 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine (CID 176692395) is 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine?
The canonical SMILES for 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine is CN1CCC(c2c(F)cnn2C(F)F)CC1.
What is the InChIKey of 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine?
The InChIKey is QFJUGUGMQKFREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-15-4-2-7(3-5-15)9-8(11)6-14-16(9)10(12)13/h6-7,10H,2-5H2,1H3.
What are the key properties of 4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine?
4-[1-(difluoromethyl)-4-fluoropyrazol-5-yl]-1-methylpiperidine has a molecular weight of 233.24 g/mol, XLogP of 2.23, 2 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-methylpiperidine is sourced from PubChem (CID 176692395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).