ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide

C11H21N3O — CID 142907272

IUPACethane;N-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccnn1C.CC.CC
InChIInChI=1S/C7H9N3O.2C2H6/c1-3-7(11)9-6-4-5-8-10(6)2;2*1-2/h3-5H,1H2,2H3,(H,9,11);2*1-2H3
InChIKeyAUZWXXZOPFNWOQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.60
Rot. Bonds2

About ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide

ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 142907272) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Nameethane;N-(2-methylpyrazol-3-yl)prop-2-enamide
PubChem CID142907272
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Nameethane;N-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccnn1C.CC.CC
InChIInChI=1S/C7H9N3O.2C2H6/c1-3-7(11)9-6-4-5-8-10(6)2;2*1-2/h3-5H,1H2,2H3,(H,9,11);2*1-2H3
InChIKeyAUZWXXZOPFNWOQ-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.60
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 ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide (CID 142907272) is ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide is C=CC(=O)Nc1ccnn1C.CC.CC.
What is the InChIKey of ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is AUZWXXZOPFNWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.2C2H6/c1-3-7(11)9-6-4-5-8-10(6)2;2*1-2/h3-5H,1H2,2H3,(H,9,11);2*1-2H3.
What are the key properties of ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide?
ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 211.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 142907272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).