N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide

C25H19N7O3 — CID 46657487

IUPACN'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C25H19N7O3/c33-21-16-32(19-11-5-2-6-12-19)30-23(21)25(35)28-27-24(34)20-15-31(18-9-3-1-4-10-18)29-22(20)17-8-7-13-26-14-17/h1-16,33H,(H,27,34)(H,28,35)
InChIKeyMCJGDQRZKPCZDP-UHFFFAOYSA-N
MW465.47 g/mol
LogP2.90
Rot. Bonds5

About N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide

N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide (PubChem CID 46657487) has the molecular formula C25H19N7O3 and a molecular weight of 465.47 g/mol. Its IUPAC name is N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
PubChem CID46657487
Molecular FormulaC25H19N7O3
Molecular Weight465.47 g/mol
Exact Mass465.15
IUPAC NameN'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C25H19N7O3/c33-21-16-32(19-11-5-2-6-12-19)30-23(21)25(35)28-27-24(34)20-15-31(18-9-3-1-4-10-18)29-22(20)17-8-7-13-26-14-17/h1-16,33H,(H,27,34)(H,28,35)
InChIKeyMCJGDQRZKPCZDP-UHFFFAOYSA-N
XLogP2.90
TPSA126.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 27568435
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide
CID 29205060
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 78767481
1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 2319199
1-phenyl-N-(2-phenylsulfanylethyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 26444481

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide (CID 46657487) is N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide is O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The InChIKey is MCJGDQRZKPCZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O3/c33-21-16-32(19-11-5-2-6-12-19)30-23(21)25(35)28-27-24(34)20-15-31(18-9-3-1-4-10-18)29-22(20)17-8-7-13-26-14-17/h1-16,33H,(H,27,34)(H,28,35).
What are the key properties of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide has a molecular weight of 465.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 46657487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).