4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid

C9H12BrN3O2 — CID 67027237

IUPAC4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C9H12BrN3O2/c10-7-5-11-13(6-7)8-1-3-12(4-2-8)9(14)15/h5-6,8H,1-4H2,(H,14,15)
InChIKeyOFOLRFZSGSRBOU-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.96
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid

4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 67027237) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
PubChem CID67027237
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C9H12BrN3O2/c10-7-5-11-13(6-7)8-1-3-12(4-2-8)9(14)15/h5-6,8H,1-4H2,(H,14,15)
InChIKeyOFOLRFZSGSRBOU-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid (CID 67027237) is 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2cc(Br)cn2)CC1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is OFOLRFZSGSRBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-7-5-11-13(6-7)8-1-3-12(4-2-8)9(14)15/h5-6,8H,1-4H2,(H,14,15).
What are the key properties of 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid?
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 274.12 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67027237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).