N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide

C25H22N4O4 — CID 24512976

IUPACN'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(OC)c1
InChIInChI=1S/C25H22N4O4/c1-32-19-13-14-20(22(15-19)33-2)24(30)26-27-25(31)21-16-29(18-11-7-4-8-12-18)28-23(21)17-9-5-3-6-10-17/h3-16H,1-2H3,(H,26,30)(H,27,31)
InChIKeyOVIKHJRPYPNBHP-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.63
Rot. Bonds6

About N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide

N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 24512976) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID24512976
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(OC)c1
InChIInChI=1S/C25H22N4O4/c1-32-19-13-14-20(22(15-19)33-2)24(30)26-27-25(31)21-16-29(18-11-7-4-8-12-18)28-23(21)17-9-5-3-6-10-17/h3-16H,1-2H3,(H,26,30)(H,27,31)
InChIKeyOVIKHJRPYPNBHP-UHFFFAOYSA-N
XLogP3.63
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.63
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-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 48575279
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 26210602
3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 78803663
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 51548267
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55669333

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide (CID 24512976) is N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is OVIKHJRPYPNBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-32-19-13-14-20(22(15-19)33-2)24(30)26-27-25(31)21-16-29(18-11-7-4-8-12-18)28-23(21)17-9-5-3-6-10-17/h3-16H,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide?
N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 442.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 24512976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).