4-(4-bromopyrazol-1-yl)-1-propylpiperidine

C11H18BrN3 — CID 139211022

IUPAC4-(4-bromopyrazol-1-yl)-1-propylpiperidine
SMILESCCCN1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C11H18BrN3/c1-2-5-14-6-3-11(4-7-14)15-9-10(12)8-13-15/h8-9,11H,2-7H2,1H3
InChIKeyQBEDSJMTSKTTFU-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.69
Rot. Bonds3

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

4-(4-bromopyrazol-1-yl)-1-propylpiperidine (PubChem CID 139211022) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-1-propylpiperidine
PubChem CID139211022
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name4-(4-bromopyrazol-1-yl)-1-propylpiperidine
SMILESCCCN1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C11H18BrN3/c1-2-5-14-6-3-11(4-7-14)15-9-10(12)8-13-15/h8-9,11H,2-7H2,1H3
InChIKeyQBEDSJMTSKTTFU-UHFFFAOYSA-N
XLogP2.69
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.69
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-propylpiperidine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-1-propylpiperidine (CID 139211022) is 4-(4-bromopyrazol-1-yl)-1-propylpiperidine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-1-propylpiperidine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-1-propylpiperidine is CCCN1CCC(n2cc(Br)cn2)CC1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-1-propylpiperidine?
The InChIKey is QBEDSJMTSKTTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-2-5-14-6-3-11(4-7-14)15-9-10(12)8-13-15/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-(4-bromopyrazol-1-yl)-1-propylpiperidine?
4-(4-bromopyrazol-1-yl)-1-propylpiperidine has a molecular weight of 272.19 g/mol, XLogP of 2.69, 3 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-propylpiperidine is sourced from PubChem (CID 139211022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).