N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide

C17H12BrN5O4 — CID 78883917

IUPACN'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrN5O4/c18-13-3-1-11(2-4-13)16(24)20-21-17(25)12-9-19-22(10-12)14-5-7-15(8-6-14)23(26)27/h1-10H,(H,20,24)(H,21,25)
InChIKeyBJSAJOZDDNYLLE-UHFFFAOYSA-N
MW430.22 g/mol
LogP2.62
Rot. Bonds4

About N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide

N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide (PubChem CID 78883917) has the molecular formula C17H12BrN5O4 and a molecular weight of 430.22 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide
PubChem CID78883917
Molecular FormulaC17H12BrN5O4
Molecular Weight430.22 g/mol
Exact Mass429.01
IUPAC NameN'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrN5O4/c18-13-3-1-11(2-4-13)16(24)20-21-17(25)12-9-19-22(10-12)14-5-7-15(8-6-14)23(26)27/h1-10H,(H,20,24)(H,21,25)
InChIKeyBJSAJOZDDNYLLE-UHFFFAOYSA-N
XLogP2.62
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.22
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide
CID 9036481
N-(1-adamantyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55699526
N-[3-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119432211
N'-[1-(4-nitrophenyl)pyrazole-4-carbonyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55786736
N-[4-(azepan-1-yl)phenyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 51117901
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
methyl 4-fluoro-3-[[1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]benzoate
CID 78877860
N'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide
CID 30834317
[4-(methylamino)piperidin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119562237
1-(4-nitrophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazole-4-carboxamide
CID 55803139
1-(4-bromophenyl)-N-(3-hydroxypropyl)pyrazole-4-carboxamide
CID 78888800

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide (CID 78883917) is N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide is O=C(NNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide?
The InChIKey is BJSAJOZDDNYLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O4/c18-13-3-1-11(2-4-13)16(24)20-21-17(25)12-9-19-22(10-12)14-5-7-15(8-6-14)23(26)27/h1-10H,(H,20,24)(H,21,25).
What are the key properties of N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide?
N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide has a molecular weight of 430.22 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 78883917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).