N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide

C8H11N3O2 — CID 76915367

IUPACN-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCONC(=O)C=Cc1ccnn1C
InChIInChI=1S/C8H11N3O2/c1-11-7(5-6-9-11)3-4-8(12)10-13-2/h3-6H,1-2H3,(H,10,12)
InChIKeyPSUYABOEFWXVAO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.11
Rot. Bonds3

About N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide

N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 76915367) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide
PubChem CID76915367
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCONC(=O)C=Cc1ccnn1C
InChIInChI=1S/C8H11N3O2/c1-11-7(5-6-9-11)3-4-8(12)10-13-2/h3-6H,1-2H3,(H,10,12)
InChIKeyPSUYABOEFWXVAO-UHFFFAOYSA-N
XLogP0.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 79675864
ethyl (E)-3-(2-methylpyrazol-3-yl)prop-2-enoate
CID 77230263
ethyl 3-[3-(2-methylpyrazol-3-yl)prop-2-enoylamino]propanoate
CID 76930231
(E)-N-(3-hydroxy-4-methoxybutyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 103877666
3-methyl-3-[3-(2-methylpyrazol-3-yl)prop-2-enoylamino]butanoic acid
CID 77058412
methyl 2-methyl-3-[methyl-[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoate
CID 55008293
(2R)-4-amino-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]-4-oxobutanoic acid
CID 114004706
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 79252809
(E)-N-[[4-(hydroxymethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 107232707
N-(2,3-dihydroxy-2-methylpropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 77113854
(2S)-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]-2-phenylacetic acid
CID 103804665
(E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
CID 78928294

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide (CID 76915367) is N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide is CONC(=O)C=Cc1ccnn1C.
What is the InChIKey of N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is PSUYABOEFWXVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-7(5-6-9-11)3-4-8(12)10-13-2/h3-6H,1-2H3,(H,10,12).
What are the key properties of N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide?
N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 181.19 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 76915367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).