N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide

C22H16ClN5O2 — CID 29205060

IUPACN'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C22H16ClN5O2/c23-17-10-8-15(9-11-17)20-19(14-28(27-20)18-6-2-1-3-7-18)22(30)26-25-21(29)16-5-4-12-24-13-16/h1-14H,(H,25,29)(H,26,30)
InChIKeyDIUQEJYLDAKBAR-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.66
Rot. Bonds4

About N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide

N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide (PubChem CID 29205060) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide
PubChem CID29205060
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC NameN'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C22H16ClN5O2/c23-17-10-8-15(9-11-17)20-19(14-28(27-20)18-6-2-1-3-7-18)22(30)26-25-21(29)16-5-4-12-24-13-16/h1-14H,(H,25,29)(H,26,30)
InChIKeyDIUQEJYLDAKBAR-UHFFFAOYSA-N
XLogP3.66
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
3-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 26311448
[4-(4-chlorophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 60557626
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)pyridine-3-carbohydrazide
CID 26721272
N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide
CID 55386846
3-(4-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543103
3-chloro-N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 34299352

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide (CID 29205060) is N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide is O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide?
The InChIKey is DIUQEJYLDAKBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c23-17-10-8-15(9-11-17)20-19(14-28(27-20)18-6-2-1-3-7-18)22(30)26-25-21(29)16-5-4-12-24-13-16/h1-14H,(H,25,29)(H,26,30).
What are the key properties of N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide?
N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide has a molecular weight of 417.86 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 29205060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).