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

C10H16N4O2 — CID 174878314

IUPAC4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
SMILESNc1cnn(CC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C10H16N4O2/c11-9-5-12-14(7-9)6-8-1-3-13(4-2-8)10(15)16/h5,7-8H,1-4,6,11H2,(H,15,16)
InChIKeyOEYFPCJFACHUKS-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.86
Rot. Bonds2

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

4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid (PubChem CID 174878314) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
PubChem CID174878314
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
SMILESNc1cnn(CC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C10H16N4O2/c11-9-5-12-14(7-9)6-8-1-3-13(4-2-8)10(15)16/h5,7-8H,1-4,6,11H2,(H,15,16)
InChIKeyOEYFPCJFACHUKS-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

3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 123848146
4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 146381080
1-[(1,1-dioxothietan-3-yl)methyl]pyrazol-4-amine
CID 84670121
1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826382
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796728
1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826381
1-(oxetan-3-ylmethyl)pyrazol-4-amine
CID 118280755
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
2-(4-aminopyrazol-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 114514841
2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43590005
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
1-(thietan-3-ylmethyl)pyrazole-4-carboxylic acid
CID 84668330

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid (CID 174878314) is 4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid is Nc1cnn(CC2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The InChIKey is OEYFPCJFACHUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-9-5-12-14(7-9)6-8-1-3-13(4-2-8)10(15)16/h5,7-8H,1-4,6,11H2,(H,15,16).
What are the key properties of 4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
4-[(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 4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174878314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).