(E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide

C10H12N4O — CID 6117102

IUPAC(E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C(\C#N)C(N)=O)c(C)n1
InChIInChI=1S/C10H12N4O/c1-3-14-6-9(7(2)13-14)4-8(5-11)10(12)15/h4,6H,3H2,1-2H3,(H2,12,15)/b8-4+
InChIKeyVASIQWISUSNMTQ-XBXARRHUSA-N
MW204.23 g/mol
LogP0.60
Rot. Bonds3

About (E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide

(E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 6117102) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide
PubChem CID6117102
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C(\C#N)C(N)=O)c(C)n1
InChIInChI=1S/C10H12N4O/c1-3-14-6-9(7(2)13-14)4-8(5-11)10(12)15/h4,6H,3H2,1-2H3,(H2,12,15)/b8-4+
InChIKeyVASIQWISUSNMTQ-XBXARRHUSA-N
XLogP0.60
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.60
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-ethyl-3-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide (CID 6117102) is (E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide is CCn1cc(/C=C(\C#N)C(N)=O)c(C)n1.
What is the InChIKey of (E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is VASIQWISUSNMTQ-XBXARRHUSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-14-6-9(7(2)13-14)4-8(5-11)10(12)15/h4,6H,3H2,1-2H3,(H2,12,15)/b8-4+.
What are the key properties of (E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide?
(E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 204.23 g/mol, XLogP of 0.60, 3 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-ethyl-3-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 6117102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).