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

C10H15N3O3 — CID 79675864

IUPAC(E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCOCCONC(=O)/C=C/c1ccnn1C
InChIInChI=1S/C10H15N3O3/c1-13-9(5-6-11-13)3-4-10(14)12-16-8-7-15-2/h3-6H,7-8H2,1-2H3,(H,12,14)/b4-3+
InChIKeyLIIWDQGAVZTOEI-ONEGZZNKSA-N
MW225.25 g/mol
LogP0.13
Rot. Bonds6

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

(E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 79675864) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide
PubChem CID79675864
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCOCCONC(=O)/C=C/c1ccnn1C
InChIInChI=1S/C10H15N3O3/c1-13-9(5-6-11-13)3-4-10(14)12-16-8-7-15-2/h3-6H,7-8H2,1-2H3,(H,12,14)/b4-3+
InChIKeyLIIWDQGAVZTOEI-ONEGZZNKSA-N
XLogP0.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 76915367
(E)-N-(3-hydroxy-4-methoxybutyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 103877666
ethyl (E)-3-(2-methylpyrazol-3-yl)prop-2-enoate
CID 77230263
methyl 2-methyl-3-[methyl-[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoate
CID 55008293
ethyl 3-[3-(2-methylpyrazol-3-yl)prop-2-enoylamino]propanoate
CID 76930231
3-methyl-3-[3-(2-methylpyrazol-3-yl)prop-2-enoylamino]butanoic acid
CID 77058412
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
(2R)-4-amino-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]-4-oxobutanoic acid
CID 114004706
N-(2,3-dihydroxy-2-methylpropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 77113854
(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79676613
(E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 103770651

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide (CID 79675864) is (E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide is COCCONC(=O)/C=C/c1ccnn1C.
What is the InChIKey of (E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is LIIWDQGAVZTOEI-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13-9(5-6-11-13)3-4-10(14)12-16-8-7-15-2/h3-6H,7-8H2,1-2H3,(H,12,14)/b4-3+.
What are the key properties of (E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
(E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 225.25 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 79675864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).