N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide

C16H18N4O3 — CID 86991486

IUPACN'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)NNC(=O)C1CCCO1
InChIInChI=1S/C16H18N4O3/c21-15(18-19-16(22)14-3-1-10-23-14)11-12-4-6-13(7-5-12)20-9-2-8-17-20/h2,4-9,14H,1,3,10-11H2,(H,18,21)(H,19,22)
InChIKeyAXBAWFVDMKOEDQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.74
Rot. Bonds4

About N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide

N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide (PubChem CID 86991486) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide
PubChem CID86991486
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)NNC(=O)C1CCCO1
InChIInChI=1S/C16H18N4O3/c21-15(18-19-16(22)14-3-1-10-23-14)11-12-4-6-13(7-5-12)20-9-2-8-17-20/h2,4-9,14H,1,3,10-11H2,(H,18,21)(H,19,22)
InChIKeyAXBAWFVDMKOEDQ-UHFFFAOYSA-N
XLogP0.74
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 51947513
N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide
CID 87045357
N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide
CID 60556517
N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
CID 47189407
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 95581192
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 98680919
(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 51535248
N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide
CID 60556236
N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
CID 87007046
(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 35855214
N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline
CID 82834451
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide?
The IUPAC name of N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide (CID 86991486) is N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide is O=C(Cc1ccc(-n2cccn2)cc1)NNC(=O)C1CCCO1.
What is the InChIKey of N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide?
The InChIKey is AXBAWFVDMKOEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15(18-19-16(22)14-3-1-10-23-14)11-12-4-6-13(7-5-12)20-9-2-8-17-20/h2,4-9,14H,1,3,10-11H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide?
N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide has a molecular weight of 314.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 86991486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).