4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid

C14H15BrN4O2 — CID 90780421

IUPAC4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cc(Br)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C14H15BrN4O2/c15-12-9-19(11-3-7-18(8-4-11)14(20)21)17-13(12)10-1-5-16-6-2-10/h1-2,5-6,9,11H,3-4,7-8H2,(H,20,21)
InChIKeyNNRWJPTUZDDKTK-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.02
Rot. Bonds2

About 4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid

4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 90780421) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid
PubChem CID90780421
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cc(Br)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C14H15BrN4O2/c15-12-9-19(11-3-7-18(8-4-11)14(20)21)17-13(12)10-1-5-16-6-2-10/h1-2,5-6,9,11H,3-4,7-8H2,(H,20,21)
InChIKeyNNRWJPTUZDDKTK-UHFFFAOYSA-N
XLogP3.02
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid
CID 170350484
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
CID 146487791
3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid
CID 61272209
1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 61270868
tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate
CID 67184415
4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid
CID 170164415
4-(4-bromo-1-phenylpyrazol-3-yl)pyridine
CID 67295632
1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 61272403
tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate
CID 155194633
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 29000933

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid (CID 90780421) is 4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2cc(Br)c(-c3ccncc3)n2)CC1.
What is the InChIKey of 4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is NNRWJPTUZDDKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c15-12-9-19(11-3-7-18(8-4-11)14(20)21)17-13(12)10-1-5-16-6-2-10/h1-2,5-6,9,11H,3-4,7-8H2,(H,20,21).
What are the key properties of 4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid?
4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 351.20 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 90780421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).