N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide

C26H22N4O3 — CID 24512674

IUPACN'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1COc2ccccc2C1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H22N4O3/c31-25(20-15-19-11-7-8-14-23(19)33-17-20)27-28-26(32)22-16-30(21-12-5-2-6-13-21)29-24(22)18-9-3-1-4-10-18/h1-14,16,20H,15,17H2,(H,27,31)(H,28,32)
InChIKeyYAZGJEOMQDJNTM-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.55
Rot. Bonds4

About N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide

N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 24512674) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID24512674
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC NameN'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1COc2ccccc2C1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H22N4O3/c31-25(20-15-19-11-7-8-14-23(19)33-17-20)27-28-26(32)22-16-30(21-12-5-2-6-13-21)29-24(22)18-9-3-1-4-10-18/h1-14,16,20H,15,17H2,(H,27,31)(H,28,32)
InChIKeyYAZGJEOMQDJNTM-UHFFFAOYSA-N
XLogP3.55
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
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'-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 25487346
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24610601
(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870253
N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 9204821
N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2425845
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 2310421
N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide
CID 55386846
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N'-(1,3-diphenylpyrazole-4-carbonyl)-2-methylsulfanylpyridine-3-carbohydrazide
CID 24512663
N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 35001195

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide (CID 24512674) is N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide is O=C(NNC(=O)C1COc2ccccc2C1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is YAZGJEOMQDJNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c31-25(20-15-19-11-7-8-14-23(19)33-17-20)27-28-26(32)22-16-30(21-12-5-2-6-13-21)29-24(22)18-9-3-1-4-10-18/h1-14,16,20H,15,17H2,(H,27,31)(H,28,32).
What are the key properties of N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide?
N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 438.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 24512674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).