(E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide

C12H19N3O3 — CID 114243444

IUPAC(E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCN(CCOCCO)C(=O)/C=C/c1cnn(C)c1
InChIInChI=1S/C12H19N3O3/c1-14(5-7-18-8-6-16)12(17)4-3-11-9-13-15(2)10-11/h3-4,9-10,16H,5-8H2,1-2H3/b4-3+
InChIKeyGHUVQZXQZQSZDA-ONEGZZNKSA-N
MW253.30 g/mol
LogP-0.10
Rot. Bonds7

About (E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide

(E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 114243444) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
PubChem CID114243444
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCN(CCOCCO)C(=O)/C=C/c1cnn(C)c1
InChIInChI=1S/C12H19N3O3/c1-14(5-7-18-8-6-16)12(17)4-3-11-9-13-15(2)10-11/h3-4,9-10,16H,5-8H2,1-2H3/b4-3+
InChIKeyGHUVQZXQZQSZDA-ONEGZZNKSA-N
XLogP-0.10
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.10
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide (CID 114243444) is (E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide is CN(CCOCCO)C(=O)/C=C/c1cnn(C)c1.
What is the InChIKey of (E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is GHUVQZXQZQSZDA-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14(5-7-18-8-6-16)12(17)4-3-11-9-13-15(2)10-11/h3-4,9-10,16H,5-8H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide?
(E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 253.30 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 114243444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).