[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea

C17H22N6O3 — CID 18161608

IUPAC[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCc1cc(C)n(CC(=O)NNC(=O)C(Cc2ccccc2)NC(N)=O)n1
InChIInChI=1S/C17H22N6O3/c1-11-8-12(2)23(22-11)10-15(24)20-21-16(25)14(19-17(18)26)9-13-6-4-3-5-7-13/h3-8,14H,9-10H2,1-2H3,(H,20,24)(H,21,25)(H3,18,19,26)
InChIKeyODUCRPNVAWUQKE-UHFFFAOYSA-N
MW358.40 g/mol
LogP-0.07
Rot. Bonds6

About [1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea

[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 18161608) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is [1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID18161608
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCc1cc(C)n(CC(=O)NNC(=O)C(Cc2ccccc2)NC(N)=O)n1
InChIInChI=1S/C17H22N6O3/c1-11-8-12(2)23(22-11)10-15(24)20-21-16(25)14(19-17(18)26)9-13-6-4-3-5-7-13/h3-8,14H,9-10H2,1-2H3,(H,20,24)(H,21,25)(H3,18,19,26)
InChIKeyODUCRPNVAWUQKE-UHFFFAOYSA-N
XLogP-0.07
TPSA131.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 7613436
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CID 7780034
1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
CID 46643358
[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158810
(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
(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide
CID 40724083
1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide
CID 29218613
[1-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 4848187
[(2R)-1-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 41100775
2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 55347041
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of [1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea (CID 18161608) is [1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for [1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for [1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea is Cc1cc(C)n(CC(=O)NNC(=O)C(Cc2ccccc2)NC(N)=O)n1.
What is the InChIKey of [1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is ODUCRPNVAWUQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-11-8-12(2)23(22-11)10-15(24)20-21-16(25)14(19-17(18)26)9-13-6-4-3-5-7-13/h3-8,14H,9-10H2,1-2H3,(H,20,24)(H,21,25)(H3,18,19,26).
What are the key properties of [1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 358.40 g/mol, XLogP of -0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 18161608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).