N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide

C21H19N5O3 — CID 35945297

IUPACN-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H19N5O3/c1-14(27)22-18(12-15-8-4-2-5-9-15)20(28)25-26-21(29)19-13-17(23-24-19)16-10-6-3-7-11-16/h2-13H,1H3,(H,22,27)(H,23,24)(H,25,28)(H,26,29)/b18-12+
InChIKeyXHDKHZMVXWQZOD-LDADJPATSA-N
MW389.42 g/mol
LogP2.01
Rot. Bonds5

About N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide

N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide (PubChem CID 35945297) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide
PubChem CID35945297
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H19N5O3/c1-14(27)22-18(12-15-8-4-2-5-9-15)20(28)25-26-21(29)19-13-17(23-24-19)16-10-6-3-7-11-16/h2-13H,1H3,(H,22,27)(H,23,24)(H,25,28)(H,26,29)/b18-12+
InChIKeyXHDKHZMVXWQZOD-LDADJPATSA-N
XLogP2.01
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.01
H-Bond Donors ≤ 54
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 N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide 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-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide
CID 24645614
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
3-(4-chlorophenyl)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-1H-pyrazole-5-carboxamide
CID 1362287
3-(4-bromophenyl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6002219
N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27672307
N'-(2,2-diphenylacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4787905
N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 17486234

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide?
The IUPAC name of N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide (CID 35945297) is N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide is CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide?
The InChIKey is XHDKHZMVXWQZOD-LDADJPATSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-14(27)22-18(12-15-8-4-2-5-9-15)20(28)25-26-21(29)19-13-17(23-24-19)16-10-6-3-7-11-16/h2-13H,1H3,(H,22,27)(H,23,24)(H,25,28)(H,26,29)/b18-12+.
What are the key properties of N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide?
N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide has a molecular weight of 389.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide is sourced from PubChem (CID 35945297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).