N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide

C19H18N4O3 — CID 9321094

IUPACN'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H18N4O3/c1-14-7-5-6-10-17(14)26-13-18(24)21-22-19(25)15-11-20-23(12-15)16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyGVOVMVZSEIRHNQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.02
Rot. Bonds5

About N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide

N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide (PubChem CID 9321094) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
PubChem CID9321094
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H18N4O3/c1-14-7-5-6-10-17(14)26-13-18(24)21-22-19(25)15-11-20-23(12-15)16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyGVOVMVZSEIRHNQ-UHFFFAOYSA-N
XLogP2.02
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.02
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-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9324440
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide
CID 9425429
N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9327562
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361
N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 17437529
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide
CID 9321612
N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 26246673
N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide
CID 112550736
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27757113

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide (CID 9321094) is N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is GVOVMVZSEIRHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-14-7-5-6-10-17(14)26-13-18(24)21-22-19(25)15-11-20-23(12-15)16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide?
N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 350.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 9321094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).