N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide

C27H22N6O2 — CID 55386846

IUPACN'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide
SMILESCc1nc2ccc(C(=O)NNC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc2nc1C
InChIInChI=1S/C27H22N6O2/c1-17-18(2)29-24-15-20(13-14-23(24)28-17)26(34)30-31-27(35)22-16-33(21-11-7-4-8-12-21)32-25(22)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,30,34)(H,31,35)
InChIKeyHBBPYFAWUNSILA-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.17
Rot. Bonds4

About N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide

N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide (PubChem CID 55386846) has the molecular formula C27H22N6O2 and a molecular weight of 462.51 g/mol. Its IUPAC name is N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide
PubChem CID55386846
Molecular FormulaC27H22N6O2
Molecular Weight462.51 g/mol
Exact Mass462.18
IUPAC NameN'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide
SMILESCc1nc2ccc(C(=O)NNC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc2nc1C
InChIInChI=1S/C27H22N6O2/c1-17-18(2)29-24-15-20(13-14-23(24)28-17)26(34)30-31-27(35)22-16-33(21-11-7-4-8-12-21)32-25(22)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,30,34)(H,31,35)
InChIKeyHBBPYFAWUNSILA-UHFFFAOYSA-N
XLogP4.17
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.17
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',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068
3-chloro-N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 34299352
N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2425845
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 87043447
N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide
CID 29205060
N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512976
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 55381258
1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide
CID 46651525

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide?
The IUPAC name of N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide (CID 55386846) is N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide.
What is the SMILES notation for N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide?
The canonical SMILES for N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide is Cc1nc2ccc(C(=O)NNC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc2nc1C.
What is the InChIKey of N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide?
The InChIKey is HBBPYFAWUNSILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2/c1-17-18(2)29-24-15-20(13-14-23(24)28-17)26(34)30-31-27(35)22-16-33(21-11-7-4-8-12-21)32-25(22)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,30,34)(H,31,35).
What are the key properties of N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide?
N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide has a molecular weight of 462.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide is sourced from PubChem (CID 55386846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).