N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide

C26H24N4O3 — CID 27568549

IUPACN'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N4O3/c31-25(16-15-20-17-27-30(18-20)22-11-5-2-6-12-22)28-29-26(32)19-33-24-14-8-7-13-23(24)21-9-3-1-4-10-21/h1-14,17-18H,15-16,19H2,(H,28,31)(H,29,32)
InChIKeyDWOVXAPBTWGHPC-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.70
Rot. Bonds8

About N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide

N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide (PubChem CID 27568549) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
PubChem CID27568549
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N4O3/c31-25(16-15-20-17-27-30(18-20)22-11-5-2-6-12-22)28-29-26(32)19-33-24-14-8-7-13-23(24)21-9-3-1-4-10-21/h1-14,17-18H,15-16,19H2,(H,28,31)(H,29,32)
InChIKeyDWOVXAPBTWGHPC-UHFFFAOYSA-N
XLogP3.70
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.70
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-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 35768091
N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
2-(2-tert-butylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000816
3-(2-methoxyphenyl)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 9470380
N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
CID 24624854
1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 27568435
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide
CID 26815658
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24609824
[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031247
3-ethylsulfanyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 55786556

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
The IUPAC name of N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide (CID 27568549) is N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
The canonical SMILES for N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide is O=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
The InChIKey is DWOVXAPBTWGHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-25(16-15-20-17-27-30(18-20)22-11-5-2-6-12-22)28-29-26(32)19-33-24-14-8-7-13-23(24)21-9-3-1-4-10-21/h1-14,17-18H,15-16,19H2,(H,28,31)(H,29,32).
What are the key properties of N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide has a molecular weight of 440.50 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide is sourced from PubChem (CID 27568549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).