(E)-3-(2-methylpyrazol-3-yl)prop-2-enamide

C7H9N3O — CID 43244794

IUPAC(E)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCn1nccc1/C=C/C(N)=O
InChIInChI=1S/C7H9N3O/c1-10-6(4-5-9-10)2-3-7(8)11/h2-5H,1H3,(H2,8,11)/b3-2+
InChIKeyZJSBIVQHYMNEMN-NSCUHMNNSA-N
MW151.17 g/mol
LogP-0.08
Rot. Bonds2

About (E)-3-(2-methylpyrazol-3-yl)prop-2-enamide

(E)-3-(2-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 43244794) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is (E)-3-(2-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methylpyrazol-3-yl)prop-2-enamide
PubChem CID43244794
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name(E)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCn1nccc1/C=C/C(N)=O
InChIInChI=1S/C7H9N3O/c1-10-6(4-5-9-10)2-3-7(8)11/h2-5H,1H3,(H2,8,11)/b3-2+
InChIKeyZJSBIVQHYMNEMN-NSCUHMNNSA-N
XLogP-0.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methylpyrazol-3-yl)prop-2-enamide (CID 43244794) is (E)-3-(2-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methylpyrazol-3-yl)prop-2-enamide is Cn1nccc1/C=C/C(N)=O.
What is the InChIKey of (E)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is ZJSBIVQHYMNEMN-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H9N3O/c1-10-6(4-5-9-10)2-3-7(8)11/h2-5H,1H3,(H2,8,11)/b3-2+.
What are the key properties of (E)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
(E)-3-(2-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 151.17 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 43244794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).