N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide

C15H16N4O3 — CID 87045357

IUPACN'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCO1)c1ccccc1-n1cccn1
InChIInChI=1S/C15H16N4O3/c20-14(17-18-15(21)13-7-3-10-22-13)11-5-1-2-6-12(11)19-9-4-8-16-19/h1-2,4-6,8-9,13H,3,7,10H2,(H,17,20)(H,18,21)
InChIKeyUBJNAIOPGRMDCC-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.81
Rot. Bonds3

About N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide

N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide (PubChem CID 87045357) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide
PubChem CID87045357
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCO1)c1ccccc1-n1cccn1
InChIInChI=1S/C15H16N4O3/c20-14(17-18-15(21)13-7-3-10-22-13)11-5-1-2-6-12(11)19-9-4-8-16-19/h1-2,4-6,8-9,13H,3,7,10H2,(H,17,20)(H,18,21)
InChIKeyUBJNAIOPGRMDCC-UHFFFAOYSA-N
XLogP0.81
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.81
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

N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide
CID 86991486
(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723
N'-[(2S)-oxolane-2-carbonyl]pyridine-2-carbohydrazide
CID 7405767
N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide
CID 86985910
N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78887623
(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
CID 56755678
5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide
CID 60556519
1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide
CID 78873658
N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
CID 87007046
N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 136567701
(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410

Frequently Asked Questions

What is the IUPAC name of N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide?
The IUPAC name of N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide (CID 87045357) is N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide.
What is the SMILES notation for N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide?
The canonical SMILES for N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide is O=C(NNC(=O)C1CCCO1)c1ccccc1-n1cccn1.
What is the InChIKey of N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide?
The InChIKey is UBJNAIOPGRMDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-14(17-18-15(21)13-7-3-10-22-13)11-5-1-2-6-12(11)19-9-4-8-16-19/h1-2,4-6,8-9,13H,3,7,10H2,(H,17,20)(H,18,21).
What are the key properties of N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide?
N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide has a molecular weight of 300.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 87045357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).