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

C9H14BrN3 — CID 59599418

IUPAC4-(4-bromopyrazol-1-yl)-1-methylpiperidine
SMILESCN1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C9H14BrN3/c1-12-4-2-9(3-5-12)13-7-8(10)6-11-13/h6-7,9H,2-5H2,1H3
InChIKeyRHEODVSQNPFCJQ-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.91
Rot. Bonds1

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

4-(4-bromopyrazol-1-yl)-1-methylpiperidine (PubChem CID 59599418) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-1-methylpiperidine
PubChem CID59599418
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name4-(4-bromopyrazol-1-yl)-1-methylpiperidine
SMILESCN1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C9H14BrN3/c1-12-4-2-9(3-5-12)13-7-8(10)6-11-13/h6-7,9H,2-5H2,1H3
InChIKeyRHEODVSQNPFCJQ-UHFFFAOYSA-N
XLogP1.91
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.91
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)-1-methylpiperidine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-1-methylpiperidine (CID 59599418) is 4-(4-bromopyrazol-1-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-1-methylpiperidine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-1-methylpiperidine is CN1CCC(n2cc(Br)cn2)CC1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-1-methylpiperidine?
The InChIKey is RHEODVSQNPFCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-12-4-2-9(3-5-12)13-7-8(10)6-11-13/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-(4-bromopyrazol-1-yl)-1-methylpiperidine?
4-(4-bromopyrazol-1-yl)-1-methylpiperidine has a molecular weight of 244.14 g/mol, XLogP of 1.91, 1 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)-1-methylpiperidine is sourced from PubChem (CID 59599418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).