N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide

C12H20N4O — CID 104618097

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide
SMILESCCc1cc(NC(=O)C2(C)CCNCC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-3-9-8-10(16-15-9)14-11(17)12(2)4-6-13-7-5-12/h8,13H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyAEQCYWGMKZOHQA-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.30
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide (PubChem CID 104618097) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide
PubChem CID104618097
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide
SMILESCCc1cc(NC(=O)C2(C)CCNCC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-3-9-8-10(16-15-9)14-11(17)12(2)4-6-13-7-5-12/h8,13H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyAEQCYWGMKZOHQA-UHFFFAOYSA-N
XLogP1.30
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide (CID 104618097) is N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide is CCc1cc(NC(=O)C2(C)CCNCC2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide?
The InChIKey is AEQCYWGMKZOHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-9-8-10(16-15-9)14-11(17)12(2)4-6-13-7-5-12/h8,13H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 104618097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).