N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide

C11H17N3O2 — CID 45153612

IUPACN-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide
SMILESCCn1nccc1CNC(=O)C1CCCO1
InChIInChI=1S/C11H17N3O2/c1-2-14-9(5-6-13-14)8-12-11(15)10-4-3-7-16-10/h5-6,10H,2-4,7-8H2,1H3,(H,12,15)
InChIKeySSONZCXUPZFDEI-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.70
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide

N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide (PubChem CID 45153612) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide
PubChem CID45153612
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide
SMILESCCn1nccc1CNC(=O)C1CCCO1
InChIInChI=1S/C11H17N3O2/c1-2-14-9(5-6-13-14)8-12-11(15)10-4-3-7-16-10/h5-6,10H,2-4,7-8H2,1H3,(H,12,15)
InChIKeySSONZCXUPZFDEI-UHFFFAOYSA-N
XLogP0.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide (CID 45153612) is N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide is CCn1nccc1CNC(=O)C1CCCO1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide?
The InChIKey is SSONZCXUPZFDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14-9(5-6-13-14)8-12-11(15)10-4-3-7-16-10/h5-6,10H,2-4,7-8H2,1H3,(H,12,15).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 45153612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).