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

C11H17N3O2 — CID 115680700

IUPACN-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide
SMILESCCc1cn[nH]c1NC(=O)C1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-2-8-7-12-14-10(8)13-11(15)9-3-5-16-6-4-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyDPPHMYVKZLLEKG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.34
Rot. Bonds3

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

N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide (PubChem CID 115680700) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide
PubChem CID115680700
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide
SMILESCCc1cn[nH]c1NC(=O)C1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-2-8-7-12-14-10(8)13-11(15)9-3-5-16-6-4-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyDPPHMYVKZLLEKG-UHFFFAOYSA-N
XLogP1.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide (CID 115680700) is N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide is CCc1cn[nH]c1NC(=O)C1CCOCC1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide?
The InChIKey is DPPHMYVKZLLEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-8-7-12-14-10(8)13-11(15)9-3-5-16-6-4-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide?
N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 115680700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).