(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide

C13H20F2N4O — CID 164634471

IUPAC(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide
SMILESCCn1ncc(C)c1NC(=O)N1CCC(F)(F)C[C@@H]1C
InChIInChI=1S/C13H20F2N4O/c1-4-19-11(9(2)8-16-19)17-12(20)18-6-5-13(14,15)7-10(18)3/h8,10H,4-7H2,1-3H3,(H,17,20)/t10-/m0/s1
InChIKeyHXDDVALOAUSYAF-JTQLQIEISA-N
MW286.33 g/mol
LogP2.86
Rot. Bonds2

About (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide

(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide (PubChem CID 164634471) has the molecular formula C13H20F2N4O and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide
PubChem CID164634471
Molecular FormulaC13H20F2N4O
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide
SMILESCCn1ncc(C)c1NC(=O)N1CCC(F)(F)C[C@@H]1C
InChIInChI=1S/C13H20F2N4O/c1-4-19-11(9(2)8-16-19)17-12(20)18-6-5-13(14,15)7-10(18)3/h8,10H,4-7H2,1-3H3,(H,17,20)/t10-/m0/s1
InChIKeyHXDDVALOAUSYAF-JTQLQIEISA-N
XLogP2.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide (CID 164634471) is (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide is CCn1ncc(C)c1NC(=O)N1CCC(F)(F)C[C@@H]1C.
What is the InChIKey of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide?
The InChIKey is HXDDVALOAUSYAF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20F2N4O/c1-4-19-11(9(2)8-16-19)17-12(20)18-6-5-13(14,15)7-10(18)3/h8,10H,4-7H2,1-3H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide?
(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-4,4-difluoro-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 164634471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).