1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea

C26H24N6O3 — CID 38746104

IUPAC1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C26H24N6O3/c1-18-9-8-12-20(15-18)28-26(35)27-16-23(33)29-30-25(34)22-17-32(21-13-6-3-7-14-21)31-24(22)19-10-4-2-5-11-19/h2-15,17H,16H2,1H3,(H,29,33)(H,30,34)(H2,27,28,35)
InChIKeyHLZPMNGBZFFTDW-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.43
Rot. Bonds6

About 1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea

1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea (PubChem CID 38746104) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea
PubChem CID38746104
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C26H24N6O3/c1-18-9-8-12-20(15-18)28-26(35)27-16-23(33)29-30-25(34)22-17-32(21-13-6-3-7-14-21)31-24(22)19-10-4-2-5-11-19/h2-15,17H,16H2,1H3,(H,29,33)(H,30,34)(H2,27,28,35)
InChIKeyHLZPMNGBZFFTDW-UHFFFAOYSA-N
XLogP3.43
TPSA117.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.43
H-Bond Donors ≤ 54
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-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 35001279
N-[2-(benzylamino)-2-oxoethyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55676140
3-chloro-N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 34299352
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 38396952
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N-[2-(benzylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55676157
methyl 2-[[3-[[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55962642
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea (CID 38746104) is 1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of 1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea?
The InChIKey is HLZPMNGBZFFTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-18-9-8-12-20(15-18)28-26(35)27-16-23(33)29-30-25(34)22-17-32(21-13-6-3-7-14-21)31-24(22)19-10-4-2-5-11-19/h2-15,17H,16H2,1H3,(H,29,33)(H,30,34)(H2,27,28,35).
What are the key properties of 1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea?
1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea has a molecular weight of 468.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 38746104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).