N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C15H18N4O3 — CID 135517055

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)N/N=C/c2ccc(O)cc2O)n1
InChIInChI=1S/C15H18N4O3/c1-10-7-11(2)19(18-10)6-5-15(22)17-16-9-12-3-4-13(20)8-14(12)21/h3-4,7-9,20-21H,5-6H2,1-2H3,(H,17,22)/b16-9+
InChIKeyHCCCBWVEQDDJEZ-CXUHLZMHSA-N
MW302.33 g/mol
LogP1.45
Rot. Bonds5

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 135517055) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID135517055
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)N/N=C/c2ccc(O)cc2O)n1
InChIInChI=1S/C15H18N4O3/c1-10-7-11(2)19(18-10)6-5-15(22)17-16-9-12-3-4-13(20)8-14(12)21/h3-4,7-9,20-21H,5-6H2,1-2H3,(H,17,22)/b16-9+
InChIKeyHCCCBWVEQDDJEZ-CXUHLZMHSA-N
XLogP1.45
TPSA99.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 135533865
3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
CID 5418862
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 917196
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 135781995
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777435
[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700894
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 136661274
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 135560200

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 135517055) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)N/N=C/c2ccc(O)cc2O)n1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is HCCCBWVEQDDJEZ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-7-11(2)19(18-10)6-5-15(22)17-16-9-12-3-4-13(20)8-14(12)21/h3-4,7-9,20-21H,5-6H2,1-2H3,(H,17,22)/b16-9+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 302.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 135517055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).