N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide

C25H22N4O4 — CID 43012762

IUPACN'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H22N4O4/c1-32-21-14-13-18(15-22(21)33-2)23-20(16-29(28-23)19-11-7-4-8-12-19)25(31)27-26-24(30)17-9-5-3-6-10-17/h3-16H,1-2H3,(H,26,30)(H,27,31)
InChIKeyDHCACDXSXRXMKX-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.63
Rot. Bonds6

About N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide

N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide (PubChem CID 43012762) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
PubChem CID43012762
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H22N4O4/c1-32-21-14-13-18(15-22(21)33-2)23-20(16-29(28-23)19-11-7-4-8-12-19)25(31)27-26-24(30)17-9-5-3-6-10-17/h3-16H,1-2H3,(H,26,30)(H,27,31)
InChIKeyDHCACDXSXRXMKX-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

3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide
CID 26121098
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
N'-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]-4-fluorobenzohydrazide
CID 55334060
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 43016709
N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512976
3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119452890
3-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 16613798
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 27335088
3-(3,4-dimethoxyphenyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 26454642

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide (CID 43012762) is N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is DHCACDXSXRXMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-32-21-14-13-18(15-22(21)33-2)23-20(16-29(28-23)19-11-7-4-8-12-19)25(31)27-26-24(30)17-9-5-3-6-10-17/h3-16H,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide?
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-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'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 43012762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).