N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide

C25H24N4O4S — CID 46663736

IUPACN'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)ccc1OC(C)C
InChIInChI=1S/C25H24N4O4S/c1-16(2)33-20-12-11-17(14-21(20)32-3)24(30)26-27-25(31)19-15-29(18-8-5-4-6-9-18)28-23(19)22-10-7-13-34-22/h4-16H,1-3H3,(H,26,30)(H,27,31)
InChIKeyRIDFGFDWEGYRPH-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.47
Rot. Bonds7

About N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide

N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide (PubChem CID 46663736) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
PubChem CID46663736
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)ccc1OC(C)C
InChIInChI=1S/C25H24N4O4S/c1-16(2)33-20-12-11-17(14-21(20)32-3)24(30)26-27-25(31)19-15-29(18-8-5-4-6-9-18)28-23(19)22-10-7-13-34-22/h4-16H,1-3H3,(H,26,30)(H,27,31)
InChIKeyRIDFGFDWEGYRPH-UHFFFAOYSA-N
XLogP4.47
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55595337
N-(2-methoxy-5-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 7778291
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide
CID 46407897
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282155
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16530567
N-(4-carbamoyl-3-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56518325
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 78813902
1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 112758981

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide (CID 46663736) is N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)ccc1OC(C)C.
What is the InChIKey of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The InChIKey is RIDFGFDWEGYRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-16(2)33-20-12-11-17(14-21(20)32-3)24(30)26-27-25(31)19-15-29(18-8-5-4-6-9-18)28-23(19)22-10-7-13-34-22/h4-16H,1-3H3,(H,26,30)(H,27,31).
What are the key properties of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide?
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide has a molecular weight of 476.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 46663736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).