3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid

C10H16N4O2 — CID 123848146

IUPAC3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
SMILESNc1cnn(CC2CCCN(C(=O)O)C2)c1
InChIInChI=1S/C10H16N4O2/c11-9-4-12-14(7-9)6-8-2-1-3-13(5-8)10(15)16/h4,7-8H,1-3,5-6,11H2,(H,15,16)
InChIKeyLHRLKLSUCZLOPQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.86
Rot. Bonds2

About 3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid

3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid (PubChem CID 123848146) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
PubChem CID123848146
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
SMILESNc1cnn(CC2CCCN(C(=O)O)C2)c1
InChIInChI=1S/C10H16N4O2/c11-9-4-12-14(7-9)6-8-2-1-3-13(5-8)10(15)16/h4,7-8H,1-3,5-6,11H2,(H,15,16)
InChIKeyLHRLKLSUCZLOPQ-UHFFFAOYSA-N
XLogP0.86
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 174878314
2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43590005
3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid
CID 135149499
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107209661
1-[(1,1-dioxothietan-3-yl)methyl]pyrazol-4-amine
CID 84670121
tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate
CID 139500307
2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
CID 102955084
3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 68520586
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796728
1-(oxetan-3-ylmethyl)pyrazol-4-amine
CID 118280755
3-(bromomethyl)piperidine-1-carboxylic acid
CID 57165302
[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 124699435

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid (CID 123848146) is 3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid is Nc1cnn(CC2CCCN(C(=O)O)C2)c1.
What is the InChIKey of 3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The InChIKey is LHRLKLSUCZLOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-9-4-12-14(7-9)6-8-2-1-3-13(5-8)10(15)16/h4,7-8H,1-3,5-6,11H2,(H,15,16).
What are the key properties of 3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 123848146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).