N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide

C15H12BrN5O3 — CID 19476311

IUPACN-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H12BrN5O3/c1-2-20-14(12(8-18-20)21(23)24)15(22)19-11-6-5-10(16)9-4-3-7-17-13(9)11/h3-8H,2H2,1H3,(H,19,22)
InChIKeyZWUMUFSVJZXJGV-UHFFFAOYSA-N
MW390.20 g/mol
LogP3.37
Rot. Bonds4

About N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide

N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide (PubChem CID 19476311) has the molecular formula C15H12BrN5O3 and a molecular weight of 390.20 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide
PubChem CID19476311
Molecular FormulaC15H12BrN5O3
Molecular Weight390.20 g/mol
Exact Mass389.01
IUPAC NameN-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H12BrN5O3/c1-2-20-14(12(8-18-20)21(23)24)15(22)19-11-6-5-10(16)9-4-3-7-17-13(9)11/h3-8H,2H2,1H3,(H,19,22)
InChIKeyZWUMUFSVJZXJGV-UHFFFAOYSA-N
XLogP3.37
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
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

N-(5-bromoquinolin-8-yl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280667
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide
CID 1332037
N-(5-bromoquinolin-8-yl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539010
N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
CID 19280962
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-4-nitropyrazole-5-carboxamide
CID 19476589
N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266397
N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474197
N-(5-bromoquinolin-8-yl)butanamide
CID 35287139
N-(5-bromoquinolin-8-yl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide
CID 19562097
N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414453
N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-5-carboxamide
CID 1084310
2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide
CID 19549718

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide (CID 19476311) is N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide is CCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)c2cccnc12.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide?
The InChIKey is ZWUMUFSVJZXJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O3/c1-2-20-14(12(8-18-20)21(23)24)15(22)19-11-6-5-10(16)9-4-3-7-17-13(9)11/h3-8H,2H2,1H3,(H,19,22).
What are the key properties of N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide?
N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide has a molecular weight of 390.20 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 19476311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).