N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide

C16H15BrN4O — CID 19474197

IUPACN-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Br)c3cccnc23)c(C)n1
InChIInChI=1S/C16H15BrN4O/c1-3-21-9-12(10(2)20-21)16(22)19-14-7-6-13(17)11-5-4-8-18-15(11)14/h4-9H,3H2,1-2H3,(H,19,22)
InChIKeyGZJLPWHGLNHDGS-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.77
Rot. Bonds3

About N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide

N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide (PubChem CID 19474197) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
PubChem CID19474197
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC NameN-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Br)c3cccnc23)c(C)n1
InChIInChI=1S/C16H15BrN4O/c1-3-21-9-12(10(2)20-21)16(22)19-14-7-6-13(17)11-5-4-8-18-15(11)14/h4-9H,3H2,1-2H3,(H,19,22)
InChIKeyGZJLPWHGLNHDGS-UHFFFAOYSA-N
XLogP3.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromoquinolin-8-yl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280667
N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
CID 19280962
N-(5-bromoquinolin-8-yl)butanamide
CID 35287139
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide
CID 1332037
N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266397
N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19476311
N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414453
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)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473310
1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide
CID 19272261
N-(5-bromoquinolin-8-yl)-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269826

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide (CID 19474197) is N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(Br)c3cccnc23)c(C)n1.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is GZJLPWHGLNHDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-3-21-9-12(10(2)20-21)16(22)19-14-7-6-13(17)11-5-4-8-18-15(11)14/h4-9H,3H2,1-2H3,(H,19,22).
What are the key properties of N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide?
N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 359.23 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).