N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide

C19H24N4O — CID 6889727

IUPACN-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCC(/C=N/NC(=O)Cn1nccc1C)=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C19H24N4O/c1-14(2)18-7-5-17(6-8-18)11-15(3)12-20-22-19(24)13-23-16(4)9-10-21-23/h5-12,14H,13H2,1-4H3,(H,22,24)/b15-11+,20-12+
InChIKeyYYZNCNDYTLKJTQ-KFURHSOJSA-N
MW324.43 g/mol
LogP3.52
Rot. Bonds6

About N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide

N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 6889727) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID6889727
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCC(/C=N/NC(=O)Cn1nccc1C)=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C19H24N4O/c1-14(2)18-7-5-17(6-8-18)11-15(3)12-20-22-19(24)13-23-16(4)9-10-21-23/h5-12,14H,13H2,1-4H3,(H,22,24)/b15-11+,20-12+
InChIKeyYYZNCNDYTLKJTQ-KFURHSOJSA-N
XLogP3.52
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide (CID 6889727) is N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide is CC(/C=N/NC(=O)Cn1nccc1C)=C\c1ccc(C(C)C)cc1.
What is the InChIKey of N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is YYZNCNDYTLKJTQ-KFURHSOJSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(2)18-7-5-17(6-8-18)11-15(3)12-20-22-19(24)13-23-16(4)9-10-21-23/h5-12,14H,13H2,1-4H3,(H,22,24)/b15-11+,20-12+.
What are the key properties of N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide?
N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 324.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 6889727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).