4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid

C17H20ClN5O3 — CID 118023582

IUPAC4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid
SMILESCCN(C(=O)C1CCN(C(=O)O)CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H20ClN5O3/c1-2-22(16(24)12-5-8-21(9-6-12)17(25)26)14-11-23(20-15(14)18)13-4-3-7-19-10-13/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,25,26)
InChIKeyLOOKJPANYCDUQH-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.66
Rot. Bonds4

About 4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid

4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid (PubChem CID 118023582) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid
PubChem CID118023582
Molecular FormulaC17H20ClN5O3
Molecular Weight377.83 g/mol
Exact Mass377.13
IUPAC Name4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid
SMILESCCN(C(=O)C1CCN(C(=O)O)CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H20ClN5O3/c1-2-22(16(24)12-5-8-21(9-6-12)17(25)26)14-11-23(20-15(14)18)13-4-3-7-19-10-13/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,25,26)
InChIKeyLOOKJPANYCDUQH-UHFFFAOYSA-N
XLogP2.66
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid (CID 118023582) is 4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid is CCN(C(=O)C1CCN(C(=O)O)CC1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of 4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid?
The InChIKey is LOOKJPANYCDUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O3/c1-2-22(16(24)12-5-8-21(9-6-12)17(25)26)14-11-23(20-15(14)18)13-4-3-7-19-10-13/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,25,26).
What are the key properties of 4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid?
4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid has a molecular weight of 377.83 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 118023582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).