3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide

C18H22N4O2 — CID 847669

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
SMILESC=CCc1cccc(C=NNC(=O)CCc2c(C)n[nH]c2C)c1O
InChIInChI=1S/C18H22N4O2/c1-4-6-14-7-5-8-15(18(14)24)11-19-22-17(23)10-9-16-12(2)20-21-13(16)3/h4-5,7-8,11,24H,1,6,9-10H2,2-3H3,(H,20,21)(H,22,23)
InChIKeyYTMGPCQANKHWHS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.54
Rot. Bonds7

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide (PubChem CID 847669) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
PubChem CID847669
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
SMILESC=CCc1cccc(C=NNC(=O)CCc2c(C)n[nH]c2C)c1O
InChIInChI=1S/C18H22N4O2/c1-4-6-14-7-5-8-15(18(14)24)11-19-22-17(23)10-9-16-12(2)20-21-13(16)3/h4-5,7-8,11,24H,1,6,9-10H2,2-3H3,(H,20,21)(H,22,23)
InChIKeyYTMGPCQANKHWHS-UHFFFAOYSA-N
XLogP2.54
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide 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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 940267
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]propanamide
CID 135641898
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 936942
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide
CID 3356012
2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135822145
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5213050
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
N-[(E)-(3,5-dimethyl-2-phenyl-1H-pyrazol-2-ium-4-yl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 135850183
2-(4-ethylphenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135698892
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 136794162
2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 3368732
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 5392869

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide (CID 847669) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide is C=CCc1cccc(C=NNC(=O)CCc2c(C)n[nH]c2C)c1O.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide?
The InChIKey is YTMGPCQANKHWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-6-14-7-5-8-15(18(14)24)11-19-22-17(23)10-9-16-12(2)20-21-13(16)3/h4-5,7-8,11,24H,1,6,9-10H2,2-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide has a molecular weight of 326.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 847669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).