N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide

C14H23N3O — CID 136555890

IUPACN-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide
SMILESCCC(CC)CN(CC)C(=O)C=Cc1cn[nH]c1
InChIInChI=1S/C14H23N3O/c1-4-12(5-2)11-17(6-3)14(18)8-7-13-9-15-16-10-13/h7-10,12H,4-6,11H2,1-3H3,(H,15,16)
InChIKeySKSLEXIEUORQFF-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.71
Rot. Bonds7

About N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide

N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide (PubChem CID 136555890) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide
PubChem CID136555890
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide
SMILESCCC(CC)CN(CC)C(=O)C=Cc1cn[nH]c1
InChIInChI=1S/C14H23N3O/c1-4-12(5-2)11-17(6-3)14(18)8-7-13-9-15-16-10-13/h7-10,12H,4-6,11H2,1-3H3,(H,15,16)
InChIKeySKSLEXIEUORQFF-UHFFFAOYSA-N
XLogP2.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-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

1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one
CID 129212277
1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one
CID 131205532
1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 138634709
1-[3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 138634711
ethane;2-[(E)-3-(1H-pyrazol-4-yl)prop-2-enyl]-4,5-dihydroisoindole-1,3-dione
CID 144549920
3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one
CID 146640639
[4-(dimethylamino)piperidin-1-yl]-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone
CID 149999712
(4-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone
CID 149999751
(4-tert-butylpiperidin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydrobenzo[e]azulen-2-yl]methanone
CID 150166386
ethane;N-ethyl-3-methyl-2-propan-2-yl-N-[(Z)-[(E)-2-(1H-pyrazol-4-yl)but-2-enylidene]amino]but-2-enamide
CID 155748527
2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one
CID 165172153
1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one
CID 171100512

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide (CID 136555890) is N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide is CCC(CC)CN(CC)C(=O)C=Cc1cn[nH]c1.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide?
The InChIKey is SKSLEXIEUORQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-12(5-2)11-17(6-3)14(18)8-7-13-9-15-16-10-13/h7-10,12H,4-6,11H2,1-3H3,(H,15,16).
What are the key properties of N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide?
N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide has a molecular weight of 249.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-3-(1H-pyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 136555890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).