N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide

C10H15N3O2 — CID 78968035

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
SMILESCC=CC(=O)Nc1cnn(CCOC)c1
InChIInChI=1S/C10H15N3O2/c1-3-4-10(14)12-9-7-11-13(8-9)5-6-15-2/h3-4,7-8H,5-6H2,1-2H3,(H,12,14)
InChIKeyXPIJVZBNKXBYGN-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.04
Rot. Bonds5

About N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide

N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide (PubChem CID 78968035) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
PubChem CID78968035
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
SMILESCC=CC(=O)Nc1cnn(CCOC)c1
InChIInChI=1S/C10H15N3O2/c1-3-4-10(14)12-9-7-11-13(8-9)5-6-15-2/h3-4,7-8H,5-6H2,1-2H3,(H,12,14)
InChIKeyXPIJVZBNKXBYGN-UHFFFAOYSA-N
XLogP1.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid
CID 64895222
1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
CID 115590262
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428582
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-1-carboxamide
CID 81257970
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
CID 80597322
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide (CID 78968035) is N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide is CC=CC(=O)Nc1cnn(CCOC)c1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide?
The InChIKey is XPIJVZBNKXBYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-10(14)12-9-7-11-13(8-9)5-6-15-2/h3-4,7-8H,5-6H2,1-2H3,(H,12,14).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide?
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide has a molecular weight of 209.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide is sourced from PubChem (CID 78968035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).