4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid

C10H16N4O2 — CID 156503712

IUPAC4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid
SMILESCn1cc(C2CCN(C(=O)O)CC2)c(N)n1
InChIInChI=1S/C10H16N4O2/c1-13-6-8(9(11)12-13)7-2-4-14(5-3-7)10(15)16/h6-7H,2-5H2,1H3,(H2,11,12)(H,15,16)
InChIKeyIHPUZSVUDSIOFD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.86
Rot. Bonds1

About 4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid

4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid (PubChem CID 156503712) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid
PubChem CID156503712
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid
SMILESCn1cc(C2CCN(C(=O)O)CC2)c(N)n1
InChIInChI=1S/C10H16N4O2/c1-13-6-8(9(11)12-13)7-2-4-14(5-3-7)10(15)16/h6-7H,2-5H2,1H3,(H2,11,12)(H,15,16)
InChIKeyIHPUZSVUDSIOFD-UHFFFAOYSA-N
XLogP0.86
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid (CID 156503712) is 4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid is Cn1cc(C2CCN(C(=O)O)CC2)c(N)n1.
What is the InChIKey of 4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid?
The InChIKey is IHPUZSVUDSIOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13-6-8(9(11)12-13)7-2-4-14(5-3-7)10(15)16/h6-7H,2-5H2,1H3,(H2,11,12)(H,15,16).
What are the key properties of 4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid?
4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 156503712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).