4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine

C10H14BrF2N3 — CID 168945409

IUPAC4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine
SMILESCN1CCC(n2cc(Br)cn2)CC1C(F)F
InChIInChI=1S/C10H14BrF2N3/c1-15-3-2-8(4-9(15)10(12)13)16-6-7(11)5-14-16/h5-6,8-10H,2-4H2,1H3
InChIKeyGPWAITNHXSCYMM-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.55
Rot. Bonds2

About 4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine

4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine (PubChem CID 168945409) has the molecular formula C10H14BrF2N3 and a molecular weight of 294.14 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine
PubChem CID168945409
Molecular FormulaC10H14BrF2N3
Molecular Weight294.14 g/mol
Exact Mass293.03
IUPAC Name4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine
SMILESCN1CCC(n2cc(Br)cn2)CC1C(F)F
InChIInChI=1S/C10H14BrF2N3/c1-15-3-2-8(4-9(15)10(12)13)16-6-7(11)5-14-16/h5-6,8-10H,2-4H2,1H3
InChIKeyGPWAITNHXSCYMM-UHFFFAOYSA-N
XLogP2.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine (CID 168945409) is 4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine is CN1CCC(n2cc(Br)cn2)CC1C(F)F.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine?
The InChIKey is GPWAITNHXSCYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF2N3/c1-15-3-2-8(4-9(15)10(12)13)16-6-7(11)5-14-16/h5-6,8-10H,2-4H2,1H3.
What are the key properties of 4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine?
4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine has a molecular weight of 294.14 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine is sourced from PubChem (CID 168945409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).