3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine

C15H19N5O — CID 70984073

IUPAC3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine
SMILESCCOC(CC)=C(C#N)c1ccccn1.Nc1ccn[nH]1
InChIInChI=1S/C12H14N2O.C3H5N3/c1-3-12(15-4-2)10(9-13)11-7-5-6-8-14-11;4-3-1-2-5-6-3/h5-8H,3-4H2,1-2H3;1-2H,(H3,4,5,6)
InChIKeyPKFOOZSKWHMSHR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.75
Rot. Bonds4

About 3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine

3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine (PubChem CID 70984073) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine.

Molecular Properties

Compound Name3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine
PubChem CID70984073
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine
SMILESCCOC(CC)=C(C#N)c1ccccn1.Nc1ccn[nH]1
InChIInChI=1S/C12H14N2O.C3H5N3/c1-3-12(15-4-2)10(9-13)11-7-5-6-8-14-11;4-3-1-2-5-6-3/h5-8H,3-4H2,1-2H3;1-2H,(H3,4,5,6)
InChIKeyPKFOOZSKWHMSHR-UHFFFAOYSA-N
XLogP2.75
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine?
The IUPAC name of 3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine (CID 70984073) is 3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine.
What is the SMILES notation for 3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine?
The canonical SMILES for 3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine is CCOC(CC)=C(C#N)c1ccccn1.Nc1ccn[nH]1.
What is the InChIKey of 3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine?
The InChIKey is PKFOOZSKWHMSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C3H5N3/c1-3-12(15-4-2)10(9-13)11-7-5-6-8-14-11;4-3-1-2-5-6-3/h5-8H,3-4H2,1-2H3;1-2H,(H3,4,5,6).
What are the key properties of 3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine?
3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine has a molecular weight of 285.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-pyridin-2-ylpent-2-enenitrile;1H-pyrazol-5-amine is sourced from PubChem (CID 70984073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).