N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide

C28H32N6O2 — CID 46651465

IUPACN'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H32N6O2/c1-19(2)17-33-21(4)24(20(3)31-33)15-16-26(35)29-30-28(36)25-18-34(23-13-9-6-10-14-23)32-27(25)22-11-7-5-8-12-22/h5-14,18-19H,15-17H2,1-4H3,(H,29,35)(H,30,36)
InChIKeyJOCPUNMKNNGIBG-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.40
Rot. Bonds8

About N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide

N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 46651465) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID46651465
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC NameN'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H32N6O2/c1-19(2)17-33-21(4)24(20(3)31-33)15-16-26(35)29-30-28(36)25-18-34(23-13-9-6-10-14-23)32-27(25)22-11-7-5-8-12-22/h5-14,18-19H,15-17H2,1-4H3,(H,29,35)(H,30,36)
InChIKeyJOCPUNMKNNGIBG-UHFFFAOYSA-N
XLogP4.40
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.40
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

1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide
CID 46651525
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide
CID 46664095
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068
N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide
CID 9086483
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 35001279
2-chloro-N-[2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]ethyl]benzamide
CID 39112466
N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide
CID 38003509

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide (CID 46651465) is N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide is Cc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is JOCPUNMKNNGIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-19(2)17-33-21(4)24(20(3)31-33)15-16-26(35)29-30-28(36)25-18-34(23-13-9-6-10-14-23)32-27(25)22-11-7-5-8-12-22/h5-14,18-19H,15-17H2,1-4H3,(H,29,35)(H,30,36).
What are the key properties of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 484.60 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 46651465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).