N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide

C20H17N5O3 — CID 25395657

IUPACN'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)COc2ccc(C#N)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H17N5O3/c1-14-18(12-22-25(14)16-5-3-2-4-6-16)20(27)24-23-19(26)13-28-17-9-7-15(11-21)8-10-17/h2-10,12H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyVXIXUCHZBRBGIT-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.89
Rot. Bonds5

About N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide

N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide (PubChem CID 25395657) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide
PubChem CID25395657
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)COc2ccc(C#N)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H17N5O3/c1-14-18(12-22-25(14)16-5-3-2-4-6-16)20(27)24-23-19(26)13-28-17-9-7-15(11-21)8-10-17/h2-10,12H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyVXIXUCHZBRBGIT-UHFFFAOYSA-N
XLogP1.89
TPSA109.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide (CID 25395657) is N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide is Cc1c(C(=O)NNC(=O)COc2ccc(C#N)cc2)cnn1-c1ccccc1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is VXIXUCHZBRBGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-14-18(12-22-25(14)16-5-3-2-4-6-16)20(27)24-23-19(26)13-28-17-9-7-15(11-21)8-10-17/h2-10,12H,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide?
N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 375.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 25395657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).