1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid

C10H12BrN3O3 — CID 163295287

IUPAC1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(Br)[nH]n2)CC1
InChIInChI=1S/C10H12BrN3O3/c11-8-5-7(12-13-8)9(15)14-3-1-6(2-4-14)10(16)17/h5-6H,1-4H2,(H,12,13)(H,16,17)
InChIKeyVWJZRTPWZISWOU-UHFFFAOYSA-N
MW302.13 g/mol
LogP1.11
Rot. Bonds2

About 1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid

1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 163295287) has the molecular formula C10H12BrN3O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID163295287
Molecular FormulaC10H12BrN3O3
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC Name1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(Br)[nH]n2)CC1
InChIInChI=1S/C10H12BrN3O3/c11-8-5-7(12-13-8)9(15)14-3-1-6(2-4-14)10(16)17/h5-6H,1-4H2,(H,12,13)(H,16,17)
InChIKeyVWJZRTPWZISWOU-UHFFFAOYSA-N
XLogP1.11
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid (CID 163295287) is 1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cc(Br)[nH]n2)CC1.
What is the InChIKey of 1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is VWJZRTPWZISWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3/c11-8-5-7(12-13-8)9(15)14-3-1-6(2-4-14)10(16)17/h5-6H,1-4H2,(H,12,13)(H,16,17).
What are the key properties of 1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid?
1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 302.13 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-pyrazole-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 163295287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).