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

C23H16ClN5O4 — CID 35001195

IUPACN'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C23H16ClN5O4/c24-20-13-17(29(32)33)11-12-18(20)22(30)25-26-23(31)19-14-28(16-9-5-2-6-10-16)27-21(19)15-7-3-1-4-8-15/h1-14H,(H,25,30)(H,26,31)
InChIKeyHQTRRIXEYDWMQS-UHFFFAOYSA-N
MW461.87 g/mol
LogP4.18
Rot. Bonds5

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

N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 35001195) has the molecular formula C23H16ClN5O4 and a molecular weight of 461.87 g/mol. Its IUPAC name is N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID35001195
Molecular FormulaC23H16ClN5O4
Molecular Weight461.87 g/mol
Exact Mass461.09
IUPAC NameN'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C23H16ClN5O4/c24-20-13-17(29(32)33)11-12-18(20)22(30)25-26-23(31)19-14-28(16-9-5-2-6-10-16)27-21(19)15-7-3-1-4-8-15/h1-14H,(H,25,30)(H,26,31)
InChIKeyHQTRRIXEYDWMQS-UHFFFAOYSA-N
XLogP4.18
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.87
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 26664796
N-(3-chlorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 151307520
N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 60573626
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-(4-acetylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 1287887
N-(4-acetylphenyl)-3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 1288195
N-(2-chloro-4-nitrophenyl)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 4710572
2-chloro-4-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16613767
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 70694214
3-(4-nitrophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1289699

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide (CID 35001195) is N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide is O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is HQTRRIXEYDWMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O4/c24-20-13-17(29(32)33)11-12-18(20)22(30)25-26-23(31)19-14-28(16-9-5-2-6-10-16)27-21(19)15-7-3-1-4-8-15/h1-14H,(H,25,30)(H,26,31).
What are the key properties of N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide?
N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 461.87 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 35001195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).