N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide

C16H21N3O3 — CID 166424346

IUPACN-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1coc(C)c1)Cc1cnn(CCOC)c1
InChIInChI=1S/C16H21N3O3/c1-4-16(20)18(9-14-7-13(2)22-12-14)10-15-8-17-19(11-15)5-6-21-3/h4,7-8,11-12H,1,5-6,9-10H2,2-3H3
InChIKeyCIXNYEMTSZAGFH-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.15
Rot. Bonds8

About N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide

N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide (PubChem CID 166424346) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide
PubChem CID166424346
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1coc(C)c1)Cc1cnn(CCOC)c1
InChIInChI=1S/C16H21N3O3/c1-4-16(20)18(9-14-7-13(2)22-12-14)10-15-8-17-19(11-15)5-6-21-3/h4,7-8,11-12H,1,5-6,9-10H2,2-3H3
InChIKeyCIXNYEMTSZAGFH-UHFFFAOYSA-N
XLogP2.15
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]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

[1-(2-methoxyethyl)pyrazol-4-yl]methanethiol
CID 155403637
acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole
CID 144516291
N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide
CID 72886642
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
CID 104567003
N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide
CID 166415568
N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 167987364
[1-(2-methoxyethyl)pyrazol-4-yl] carbamate
CID 68570482
[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol
CID 103412880
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide
CID 166424353
N-(2,2-dimethylpropyl)-N-[(1-methylindazol-6-yl)methyl]prop-2-enamide
CID 154880689

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide (CID 166424346) is N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide is C=CC(=O)N(Cc1coc(C)c1)Cc1cnn(CCOC)c1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide?
The InChIKey is CIXNYEMTSZAGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-16(20)18(9-14-7-13(2)22-12-14)10-15-8-17-19(11-15)5-6-21-3/h4,7-8,11-12H,1,5-6,9-10H2,2-3H3.
What are the key properties of N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide?
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide has a molecular weight of 303.36 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 166424346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).