N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide

C15H13BrN4O — CID 19280962

IUPACN-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Br)c3cccnc23)cn1
InChIInChI=1S/C15H13BrN4O/c1-2-20-9-10(8-18-20)15(21)19-13-6-5-12(16)11-4-3-7-17-14(11)13/h3-9H,2H2,1H3,(H,19,21)
InChIKeyUVWWQNJOTMQQMH-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.47
Rot. Bonds3

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

N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide (PubChem CID 19280962) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
PubChem CID19280962
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC NameN-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Br)c3cccnc23)cn1
InChIInChI=1S/C15H13BrN4O/c1-2-20-9-10(8-18-20)15(21)19-13-6-5-12(16)11-4-3-7-17-14(11)13/h3-9H,2H2,1H3,(H,19,21)
InChIKeyUVWWQNJOTMQQMH-UHFFFAOYSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-bromoquinolin-8-yl)butanamide
CID 35287139
N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19476311
N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide
CID 126187586
2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide
CID 19549718
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19579044
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-(4-bromoquinolin-8-yl)benzamide
CID 163361667
1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide
CID 19272261

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide (CID 19280962) is N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(Br)c3cccnc23)cn1.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is UVWWQNJOTMQQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-2-20-9-10(8-18-20)15(21)19-13-6-5-12(16)11-4-3-7-17-14(11)13/h3-9H,2H2,1H3,(H,19,21).
What are the key properties of N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide?
N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.47, 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-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 19280962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).