(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide

C9H10N4O — CID 840771

IUPAC(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)cc1/C=C(\C#N)C(N)=O
InChIInChI=1S/C9H10N4O/c1-6-8(5-13(2)12-6)3-7(4-10)9(11)14/h3,5H,1-2H3,(H2,11,14)/b7-3+
InChIKeyZUYJSCVPHOLTBS-XVNBXDOJSA-N
MW190.21 g/mol
LogP0.12
Rot. Bonds2

About (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide

(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 840771) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide
PubChem CID840771
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)cc1/C=C(\C#N)C(N)=O
InChIInChI=1S/C9H10N4O/c1-6-8(5-13(2)12-6)3-7(4-10)9(11)14/h3,5H,1-2H3,(H2,11,14)/b7-3+
InChIKeyZUYJSCVPHOLTBS-XVNBXDOJSA-N
XLogP0.12
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-dimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide (CID 840771) is (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide is Cc1nn(C)cc1/C=C(\C#N)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is ZUYJSCVPHOLTBS-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-8(5-13(2)12-6)3-7(4-10)9(11)14/h3,5H,1-2H3,(H2,11,14)/b7-3+.
What are the key properties of (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide?
(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 190.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 840771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).