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

C24H22N4O — CID 78774712

IUPAC3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccccc2)c(C)c1
InChIInChI=1S/C24H22N4O/c1-17-13-14-21(18(2)15-17)23-22(16-28(27-23)20-11-7-4-8-12-20)24(29)26-25-19-9-5-3-6-10-19/h3-16,25H,1-2H3,(H,26,29)
InChIKeyGHVSJUXHUQDJAV-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.91
Rot. Bonds5

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

3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide (PubChem CID 78774712) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide
PubChem CID78774712
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccccc2)c(C)c1
InChIInChI=1S/C24H22N4O/c1-17-13-14-21(18(2)15-17)23-22(16-28(27-23)20-11-7-4-8-12-20)24(29)26-25-19-9-5-3-6-10-19/h3-16,25H,1-2H3,(H,26,29)
InChIKeyGHVSJUXHUQDJAV-UHFFFAOYSA-N
XLogP4.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-N'-(furan-2-carbonyl)-1-phenylpyrazole-4-carbohydrazide
CID 9366857
3-(2,4-dimethylphenyl)-N-[3-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 112767352
3-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1-phenylpyrazole-4-carboxamide
CID 29198559
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119629823
3-(2,4-dimethylphenyl)-N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 112772009
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60558022
methyl 4-[[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]butanoate
CID 33234625
3-(2,4-dimethylphenyl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 55950805
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120601286
[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563312
3-(2,4-dimethylphenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 55813354

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide (CID 78774712) is 3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccccc2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide?
The InChIKey is GHVSJUXHUQDJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17-13-14-21(18(2)15-17)23-22(16-28(27-23)20-11-7-4-8-12-20)24(29)26-25-19-9-5-3-6-10-19/h3-16,25H,1-2H3,(H,26,29).
What are the key properties of 3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide?
3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide has a molecular weight of 382.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 78774712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).