N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide

C18H20N4O4 — CID 34988498

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide
SMILESCOc1ccc2c(CC(=O)NNC(=O)Cn3nc(C)cc3C)coc2c1
InChIInChI=1S/C18H20N4O4/c1-11-6-12(2)22(21-11)9-18(24)20-19-17(23)7-13-10-26-16-8-14(25-3)4-5-15(13)16/h4-6,8,10H,7,9H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyHOQNEHYZLDVDPG-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.64
Rot. Bonds5

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide (PubChem CID 34988498) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide
PubChem CID34988498
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide
SMILESCOc1ccc2c(CC(=O)NNC(=O)Cn3nc(C)cc3C)coc2c1
InChIInChI=1S/C18H20N4O4/c1-11-6-12(2)22(21-11)9-18(24)20-19-17(23)7-13-10-26-16-8-14(25-3)4-5-15(13)16/h4-6,8,10H,7,9H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyHOQNEHYZLDVDPG-UHFFFAOYSA-N
XLogP1.64
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.64
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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Related Compounds

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide
CID 34390006
N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-methylbenzohydrazide
CID 2492500
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 55377380
4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
4-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872308
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
N-(2-amino-5-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63257950
N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide (CID 34988498) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide is COc1ccc2c(CC(=O)NNC(=O)Cn3nc(C)cc3C)coc2c1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide?
The InChIKey is HOQNEHYZLDVDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-6-12(2)22(21-11)9-18(24)20-19-17(23)7-13-10-26-16-8-14(25-3)4-5-15(13)16/h4-6,8,10H,7,9H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide has a molecular weight of 356.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide is sourced from PubChem (CID 34988498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).