3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide

C26H24N4O4 — CID 25475855

IUPAC3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C26H24N4O4/c1-33-22-14-13-19(16-23(22)34-2)25-21(17-30(29-25)20-11-7-4-8-12-20)26(32)28-27-24(31)15-18-9-5-3-6-10-18/h3-14,16-17H,15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyBYESJYIZHLHIPQ-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.56
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide

3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide (PubChem CID 25475855) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
PubChem CID25475855
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C26H24N4O4/c1-33-22-14-13-19(16-23(22)34-2)25-21(17-30(29-25)20-11-7-4-8-12-20)26(32)28-27-24(31)15-18-9-5-3-6-10-18/h3-14,16-17H,15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyBYESJYIZHLHIPQ-UHFFFAOYSA-N
XLogP3.56
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.56
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'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide
CID 26121098
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
3-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 16613798
3-(3,4-dimethoxyphenyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 26454642
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 43016709
methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate
CID 55725584
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfinylbutyl)-1-phenylpyrazole-4-carboxamide
CID 71915708

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide (CID 25475855) is 3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)Cc2ccccc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide?
The InChIKey is BYESJYIZHLHIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-33-22-14-13-19(16-23(22)34-2)25-21(17-30(29-25)20-11-7-4-8-12-20)26(32)28-27-24(31)15-18-9-5-3-6-10-18/h3-14,16-17H,15H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide?
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide has a molecular weight of 456.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 25475855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).