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(2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride

C13H23ClN4O — CID 154914215

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride
SMILESCCc1nn(C)c(NC(=O)[C@@H]2CCCCN2)c1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-4-10-9(2)12(17(3)16-10)15-13(18)11-7-5-6-8-14-11;/h11,14H,4-8H2,1-3H3,(H,15,18);1H/t11-;/m0./s1
InChIKeyVSNILHWMJOZXHU-MERQFXBCSA-N
MW286.81 g/mol
LogP1.79
Rot. Bonds3

About (2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 154914215) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is (2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID154914215
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name(2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride
SMILESCCc1nn(C)c(NC(=O)[C@@H]2CCCCN2)c1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-4-10-9(2)12(17(3)16-10)15-13(18)11-7-5-6-8-14-11;/h11,14H,4-8H2,1-3H3,(H,15,18);1H/t11-;/m0./s1
InChIKeyVSNILHWMJOZXHU-MERQFXBCSA-N
XLogP1.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride (CID 154914215) is (2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride is CCc1nn(C)c(NC(=O)[C@@H]2CCCCN2)c1C.Cl.
What is the InChIKey of (2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is VSNILHWMJOZXHU-MERQFXBCSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-4-10-9(2)12(17(3)16-10)15-13(18)11-7-5-6-8-14-11;/h11,14H,4-8H2,1-3H3,(H,15,18);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154914215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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