5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide

C16H18N4O3 — CID 60556519

IUPAC5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCCO2)nn1-c1ccccc1
InChIInChI=1S/C16H18N4O3/c1-11-10-13(19-20(11)12-6-3-2-4-7-12)15(21)17-18-16(22)14-8-5-9-23-14/h2-4,6-7,10,14H,5,8-9H2,1H3,(H,17,21)(H,18,22)
InChIKeyOCOCKRONRDOADY-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.12
Rot. Bonds3

About 5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide

5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide (PubChem CID 60556519) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide
PubChem CID60556519
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCCO2)nn1-c1ccccc1
InChIInChI=1S/C16H18N4O3/c1-11-10-13(19-20(11)12-6-3-2-4-7-12)15(21)17-18-16(22)14-8-5-9-23-14/h2-4,6-7,10,14H,5,8-9H2,1H3,(H,17,21)(H,18,22)
InChIKeyOCOCKRONRDOADY-UHFFFAOYSA-N
XLogP1.12
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.12
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'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 39479957
N'-[(2S)-oxolane-2-carbonyl]pyridine-2-carbohydrazide
CID 7405767
5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55794303
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55762098
N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide
CID 87045357
(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide
CID 51725560
6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide
CID 35240540
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide (CID 60556519) is 5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)C2CCCO2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is OCOCKRONRDOADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-10-13(19-20(11)12-6-3-2-4-7-12)15(21)17-18-16(22)14-8-5-9-23-14/h2-4,6-7,10,14H,5,8-9H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide?
5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 314.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 60556519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).