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

C20H20N4O3 — CID 9324440

IUPACN'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H20N4O3/c1-2-15-8-10-18(11-9-15)27-14-19(25)22-23-20(26)16-12-21-24(13-16)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyOIFVQSNLZGHFKB-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.27
Rot. Bonds6

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

N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide (PubChem CID 9324440) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
PubChem CID9324440
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H20N4O3/c1-2-15-8-10-18(11-9-15)27-14-19(25)22-23-20(26)16-12-21-24(13-16)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyOIFVQSNLZGHFKB-UHFFFAOYSA-N
XLogP2.27
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.27
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-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9321094
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955139
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
1-(4-ethylphenyl)pyrazole-4-carboxylic acid
CID 82365536
N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9327562
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134036059
1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 27370719
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide (CID 9324440) is N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is OIFVQSNLZGHFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-15-8-10-18(11-9-15)27-14-19(25)22-23-20(26)16-12-21-24(13-16)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide?
N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 364.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 9324440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).