1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea

C19H26N6O3 — CID 46643358

IUPAC1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
SMILESCc1cc(C)n(CC(=O)NNC(=O)C(NC(=O)Nc2ccccc2)C(C)C)n1
InChIInChI=1S/C19H26N6O3/c1-12(2)17(21-19(28)20-15-8-6-5-7-9-15)18(27)23-22-16(26)11-25-14(4)10-13(3)24-25/h5-10,12,17H,11H2,1-4H3,(H,22,26)(H,23,27)(H2,20,21,28)
InChIKeyQWBYKUZRFJFDHN-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.49
Rot. Bonds6

About 1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea

1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea (PubChem CID 46643358) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
PubChem CID46643358
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
SMILESCc1cc(C)n(CC(=O)NNC(=O)C(NC(=O)Nc2ccccc2)C(C)C)n1
InChIInChI=1S/C19H26N6O3/c1-12(2)17(21-19(28)20-15-8-6-5-7-9-15)18(27)23-22-16(26)11-25-14(4)10-13(3)24-25/h5-10,12,17H,11H2,1-4H3,(H,22,26)(H,23,27)(H2,20,21,28)
InChIKeyQWBYKUZRFJFDHN-UHFFFAOYSA-N
XLogP1.49
TPSA117.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea 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

N-[(2S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 7613435
(2R)-2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 79011206
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 43648199
[(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 7613436
N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 51195541
[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18161608
(2S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 29218907
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
CID 9428621
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide
CID 40724083

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea?
The IUPAC name of 1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea (CID 46643358) is 1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea?
The canonical SMILES for 1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea is Cc1cc(C)n(CC(=O)NNC(=O)C(NC(=O)Nc2ccccc2)C(C)C)n1.
What is the InChIKey of 1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea?
The InChIKey is QWBYKUZRFJFDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-12(2)17(21-19(28)20-15-8-6-5-7-9-15)18(27)23-22-16(26)11-25-14(4)10-13(3)24-25/h5-10,12,17H,11H2,1-4H3,(H,22,26)(H,23,27)(H2,20,21,28).
What are the key properties of 1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea?
1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea has a molecular weight of 386.46 g/mol, XLogP of 1.49, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea is sourced from PubChem (CID 46643358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).