N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide

C27H25N5O3 — CID 34299490

IUPACN-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H25N5O3/c1-19-10-8-9-15-22(19)26(34)28-17-16-24(33)29-30-27(35)23-18-32(21-13-6-3-7-14-21)31-25(23)20-11-4-2-5-12-20/h2-15,18H,16-17H2,1H3,(H,28,34)(H,29,33)(H,30,35)
InChIKeyQAYLWYCLZFZTHU-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.43
Rot. Bonds7

About N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide

N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide (PubChem CID 34299490) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
PubChem CID34299490
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC NameN-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H25N5O3/c1-19-10-8-9-15-22(19)26(34)28-17-16-24(33)29-30-27(35)23-18-32(21-13-6-3-7-14-21)31-25(23)20-11-4-2-5-12-20/h2-15,18H,16-17H2,1H3,(H,28,34)(H,29,33)(H,30,35)
InChIKeyQAYLWYCLZFZTHU-UHFFFAOYSA-N
XLogP3.43
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.43
H-Bond Donors ≤ 53
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'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 35001279
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2100382
N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948
1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea
CID 38746104
N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 46651465
1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide
CID 46651525
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2425845
N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide (CID 34299490) is N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is QAYLWYCLZFZTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-19-10-8-9-15-22(19)26(34)28-17-16-24(33)29-30-27(35)23-18-32(21-13-6-3-7-14-21)31-25(23)20-11-4-2-5-12-20/h2-15,18H,16-17H2,1H3,(H,28,34)(H,29,33)(H,30,35).
What are the key properties of N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 467.53 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 34299490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).