N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

C20H16N4O4 — CID 78803284

IUPACN'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc4ccccc4o3)[nH]n2)cc1
InChIInChI=1S/C20H16N4O4/c1-27-14-8-6-12(7-9-14)15-11-16(22-21-15)19(25)23-24-20(26)18-10-13-4-2-3-5-17(13)28-18/h2-11H,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyBOAJDVGHFYLMRP-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.91
Rot. Bonds4

About N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 78803284) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID78803284
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc4ccccc4o3)[nH]n2)cc1
InChIInChI=1S/C20H16N4O4/c1-27-14-8-6-12(7-9-14)15-11-16(22-21-15)19(25)23-24-20(26)18-10-13-4-2-3-5-17(13)28-18/h2-11H,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyBOAJDVGHFYLMRP-UHFFFAOYSA-N
XLogP2.91
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.91
H-Bond Donors ≤ 53
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'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
CID 78870510
N'-[1-(4-aminophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2269985
3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide
CID 2084076
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 78901393
N'-[2-(2-methoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 7719982
N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803289
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide
CID 78904333
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-phenylpyrazole-3-carbohydrazide
CID 78868431
N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78816707
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
N'-[1-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2068775
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 90515898

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (CID 78803284) is N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)c3cc4ccccc4o3)[nH]n2)cc1.
What is the InChIKey of N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is BOAJDVGHFYLMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-27-14-8-6-12(7-9-14)15-11-16(22-21-15)19(25)23-24-20(26)18-10-13-4-2-3-5-17(13)28-18/h2-11H,1H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 376.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 78803284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).