5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide

C19H18N4O3 — CID 60520861

IUPAC5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)n[nH]1
InChIInChI=1S/C19H18N4O3/c1-13-11-16(21-20-13)19(25)23-22-18(24)12-26-17-10-6-5-9-15(17)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyFYCIOLMZRCUCOV-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.23
Rot. Bonds5

About 5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide

5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide (PubChem CID 60520861) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
PubChem CID60520861
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)n[nH]1
InChIInChI=1S/C19H18N4O3/c1-13-11-16(21-20-13)19(25)23-22-18(24)12-26-17-10-6-5-9-15(17)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyFYCIOLMZRCUCOV-UHFFFAOYSA-N
XLogP2.23
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 2712895
1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 60527876
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide
CID 9076190
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide
CID 55644587
N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 3321462
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide (CID 60520861) is 5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)n[nH]1.
What is the InChIKey of 5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide?
The InChIKey is FYCIOLMZRCUCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-11-16(21-20-13)19(25)23-22-18(24)12-26-17-10-6-5-9-15(17)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide?
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide has a molecular weight of 350.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 60520861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).