(Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide

C11H14N4O2 — CID 146025175

IUPAC(Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\c1cnn(C)c1
InChIInChI=1S/C11H14N4O2/c1-15-8-9(7-14-15)5-10(6-12)11(16)13-3-4-17-2/h5,7-8H,3-4H2,1-2H3,(H,13,16)/b10-5-
InChIKeyTYOJDUIPLVWJOI-YHYXMXQVSA-N
MW234.26 g/mol
LogP0.09
Rot. Bonds5

About (Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide

(Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 146025175) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
PubChem CID146025175
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name(Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\c1cnn(C)c1
InChIInChI=1S/C11H14N4O2/c1-15-8-9(7-14-15)5-10(6-12)11(16)13-3-4-17-2/h5,7-8H,3-4H2,1-2H3,(H,13,16)/b10-5-
InChIKeyTYOJDUIPLVWJOI-YHYXMXQVSA-N
XLogP0.09
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide (CID 146025175) is (Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide is COCCNC(=O)/C(C#N)=C\c1cnn(C)c1.
What is the InChIKey of (Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is TYOJDUIPLVWJOI-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-15-8-9(7-14-15)5-10(6-12)11(16)13-3-4-17-2/h5,7-8H,3-4H2,1-2H3,(H,13,16)/b10-5-.
What are the key properties of (Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
(Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 234.26 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 146025175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).