N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide

C15H12BrN5O3 — CID 19266397

IUPACN-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
SMILESCc1c([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c3cccnc23)nn1C
InChIInChI=1S/C15H12BrN5O3/c1-8-14(21(23)24)13(19-20(8)2)15(22)18-11-6-5-10(16)9-4-3-7-17-12(9)11/h3-7H,1-2H3,(H,18,22)
InChIKeyVIXOVZOTUSVEIO-UHFFFAOYSA-N
MW390.20 g/mol
LogP3.20
Rot. Bonds3

About N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide

N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide (PubChem CID 19266397) has the molecular formula C15H12BrN5O3 and a molecular weight of 390.20 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
PubChem CID19266397
Molecular FormulaC15H12BrN5O3
Molecular Weight390.20 g/mol
Exact Mass389.01
IUPAC NameN-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
SMILESCc1c([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c3cccnc23)nn1C
InChIInChI=1S/C15H12BrN5O3/c1-8-14(21(23)24)13(19-20(8)2)15(22)18-11-6-5-10(16)9-4-3-7-17-12(9)11/h3-7H,1-2H3,(H,18,22)
InChIKeyVIXOVZOTUSVEIO-UHFFFAOYSA-N
XLogP3.20
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.20
LogP ≤ 53.20
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)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide
CID 19562097
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide
CID 1332037
1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19266528
N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19476311
N-(5-bromoquinolin-8-yl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539010
N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474197
N-(5-bromoquinolin-8-yl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280667
N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19578055
N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473310
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
CID 22742503
N-(5-bromoquinolin-8-yl)butanamide
CID 35287139

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide (CID 19266397) is N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide is Cc1c([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c3cccnc23)nn1C.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The InChIKey is VIXOVZOTUSVEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O3/c1-8-14(21(23)24)13(19-20(8)2)15(22)18-11-6-5-10(16)9-4-3-7-17-12(9)11/h3-7H,1-2H3,(H,18,22).
What are the key properties of N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide has a molecular weight of 390.20 g/mol, XLogP of 3.20, 3 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)-1,5-dimethyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 19266397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).