(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide

C16H18N4O2 — CID 40724083

IUPAC(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C16H18N4O2/c1-12-10-13(2)20(19-12)11-16(22)18-17-15(21)9-8-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,21)(H,18,22)/b9-8+
InChIKeyDBMGZHJFBCJDKK-CMDGGOBGSA-N
MW298.35 g/mol
LogP1.36
Rot. Bonds4

About (E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide

(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide (PubChem CID 40724083) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide
PubChem CID40724083
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C16H18N4O2/c1-12-10-13(2)20(19-12)11-16(22)18-17-15(21)9-8-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,21)(H,18,22)/b9-8+
InChIKeyDBMGZHJFBCJDKK-CMDGGOBGSA-N
XLogP1.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide 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

(E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide
CID 40724091
N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 51195541
N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 7780034
2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 745941
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18161608
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-phenylprop-2-enamide
CID 71837307
(E)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 109375502
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide (CID 40724083) is (E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide is Cc1cc(C)n(CC(=O)NNC(=O)/C=C/c2ccccc2)n1.
What is the InChIKey of (E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide?
The InChIKey is DBMGZHJFBCJDKK-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-10-13(2)20(19-12)11-16(22)18-17-15(21)9-8-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,21)(H,18,22)/b9-8+.
What are the key properties of (E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide?
(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide has a molecular weight of 298.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide is sourced from PubChem (CID 40724083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).