1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide

C24H24N6O2 — CID 29218613

IUPAC1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C24H24N6O2/c1-17-13-18(2)30(27-17)16-22(31)25-26-24(32)21-15-29(14-19-9-5-3-6-10-19)28-23(21)20-11-7-4-8-12-20/h3-13,15H,14,16H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyHOGYSXWYOOGDBD-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.87
Rot. Bonds6

About 1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide

1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide (PubChem CID 29218613) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide
PubChem CID29218613
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C24H24N6O2/c1-17-13-18(2)30(27-17)16-22(31)25-26-24(32)21-15-29(14-19-9-5-3-6-10-19)28-23(21)20-11-7-4-8-12-20/h3-13,15H,14,16H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyHOGYSXWYOOGDBD-UHFFFAOYSA-N
XLogP2.87
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.87
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

1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 42998069
1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 43021494
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
CID 26614007
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
1-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide
CID 18228084
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide (CID 29218613) is 1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)n1.
What is the InChIKey of 1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide?
The InChIKey is HOGYSXWYOOGDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17-13-18(2)30(27-17)16-22(31)25-26-24(32)21-15-29(14-19-9-5-3-6-10-19)28-23(21)20-11-7-4-8-12-20/h3-13,15H,14,16H2,1-2H3,(H,25,31)(H,26,32).
What are the key properties of 1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide?
1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide has a molecular weight of 428.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 29218613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).