5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C13H22N4O2 — CID 71927136

IUPAC5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCOCCN1CCCC(c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C13H22N4O2/c1-2-19-7-6-17-5-3-4-10(9-17)11-8-12(13(14)18)16-15-11/h8,10H,2-7,9H2,1H3,(H2,14,18)(H,15,16)
InChIKeyKSASMTUSHTUIEP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.72
Rot. Bonds6

About 5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71927136) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71927136
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCOCCN1CCCC(c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C13H22N4O2/c1-2-19-7-6-17-5-3-4-10(9-17)11-8-12(13(14)18)16-15-11/h8,10H,2-7,9H2,1H3,(H2,14,18)(H,15,16)
InChIKeyKSASMTUSHTUIEP-UHFFFAOYSA-N
XLogP0.72
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71927136) is 5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is CCOCCN1CCCC(c2cc(C(N)=O)n[nH]2)C1.
What is the InChIKey of 5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is KSASMTUSHTUIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-19-7-6-17-5-3-4-10(9-17)11-8-12(13(14)18)16-15-11/h8,10H,2-7,9H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of 5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71927136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).