N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

C17H13BrN4O2 — CID 27672307

IUPACN'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H13BrN4O2/c18-13-9-5-4-8-12(13)16(23)21-22-17(24)15-10-14(19-20-15)11-6-2-1-3-7-11/h1-10H,(H,19,20)(H,21,23)(H,22,24)
InChIKeyTUFICHZBTUXWMV-UHFFFAOYSA-N
MW385.22 g/mol
LogP2.91
Rot. Bonds3

About N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 27672307) has the molecular formula C17H13BrN4O2 and a molecular weight of 385.22 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID27672307
Molecular FormulaC17H13BrN4O2
Molecular Weight385.22 g/mol
Exact Mass384.02
IUPAC NameN'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H13BrN4O2/c18-13-9-5-4-8-12(13)16(23)21-22-17(24)15-10-14(19-20-15)11-6-2-1-3-7-11/h1-10H,(H,19,20)(H,21,23)(H,22,24)
InChIKeyTUFICHZBTUXWMV-UHFFFAOYSA-N
XLogP2.91
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
(2-bromophenyl)-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 20910987
N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 17486234
N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823823
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N'-(2,2-diphenylacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4787905
N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 55624453
3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 40671857
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide
CID 4845852

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 27672307) is N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(NNC(=O)c1ccccc1Br)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is TUFICHZBTUXWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2/c18-13-9-5-4-8-12(13)16(23)21-22-17(24)15-10-14(19-20-15)11-6-2-1-3-7-11/h1-10H,(H,19,20)(H,21,23)(H,22,24).
What are the key properties of N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 385.22 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 27672307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).