(E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide

C15H20N4O2 — CID 167860658

IUPAC(E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C/c1ccnn1C1CCOCC1
InChIInChI=1S/C15H20N4O2/c1-2-6-17-15(20)12(11-16)10-14-3-7-18-19(14)13-4-8-21-9-5-13/h3,7,10,13H,2,4-6,8-9H2,1H3,(H,17,20)/b12-10+
InChIKeyNCHCHSRQBFHUPA-ZRDIBKRKSA-N
MW288.35 g/mol
LogP1.67
Rot. Bonds5

About (E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide

(E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide (PubChem CID 167860658) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide
PubChem CID167860658
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C/c1ccnn1C1CCOCC1
InChIInChI=1S/C15H20N4O2/c1-2-6-17-15(20)12(11-16)10-14-3-7-18-19(14)13-4-8-21-9-5-13/h3,7,10,13H,2,4-6,8-9H2,1H3,(H,17,20)/b12-10+
InChIKeyNCHCHSRQBFHUPA-ZRDIBKRKSA-N
XLogP1.67
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide (CID 167860658) is (E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C/c1ccnn1C1CCOCC1.
What is the InChIKey of (E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide?
The InChIKey is NCHCHSRQBFHUPA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-6-17-15(20)12(11-16)10-14-3-7-18-19(14)13-4-8-21-9-5-13/h3,7,10,13H,2,4-6,8-9H2,1H3,(H,17,20)/b12-10+.
What are the key properties of (E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide?
(E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide is sourced from PubChem (CID 167860658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).