3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid

C11H16N4O3 — CID 90838042

IUPAC3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1CCCN(C(=O)O)C1)c1cn[nH]c1
InChIInChI=1S/C11H16N4O3/c16-10(9-5-13-14-6-9)12-4-8-2-1-3-15(7-8)11(17)18/h5-6,8H,1-4,7H2,(H,12,16)(H,13,14)(H,17,18)
InChIKeyCZHIUKSRBVSAGH-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.53
Rot. Bonds3

About 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid

3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 90838042) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid
PubChem CID90838042
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1CCCN(C(=O)O)C1)c1cn[nH]c1
InChIInChI=1S/C11H16N4O3/c16-10(9-5-13-14-6-9)12-4-8-2-1-3-15(7-8)11(17)18/h5-6,8H,1-4,7H2,(H,12,16)(H,13,14)(H,17,18)
InChIKeyCZHIUKSRBVSAGH-UHFFFAOYSA-N
XLogP0.53
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid (CID 90838042) is 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid is O=C(NCC1CCCN(C(=O)O)C1)c1cn[nH]c1.
What is the InChIKey of 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is CZHIUKSRBVSAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(9-5-13-14-6-9)12-4-8-2-1-3-15(7-8)11(17)18/h5-6,8H,1-4,7H2,(H,12,16)(H,13,14)(H,17,18).
What are the key properties of 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90838042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).