N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide

C14H13BrN4O — CID 107798325

IUPACN-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C14H13BrN4O/c1-3-12-11(8-19(2)18-12)14(20)17-13-6-10(15)5-4-9(13)7-16/h4-6,8H,3H2,1-2H3,(H,17,20)
InChIKeyIKBVLEMVPXOSBQ-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.87
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide

N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 107798325) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID107798325
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC NameN-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C14H13BrN4O/c1-3-12-11(8-19(2)18-12)14(20)17-13-6-10(15)5-4-9(13)7-16/h4-6,8H,3H2,1-2H3,(H,17,20)
InChIKeyIKBVLEMVPXOSBQ-UHFFFAOYSA-N
XLogP2.87
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 103909989
4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 104880407
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(5-bromo-2-cyanophenyl)-4-methylsulfanylbenzamide
CID 104880146
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
CID 104880187
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 107798369
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
CID 104880416

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 107798325) is N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is IKBVLEMVPXOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-3-12-11(8-19(2)18-12)14(20)17-13-6-10(15)5-4-9(13)7-16/h4-6,8H,3H2,1-2H3,(H,17,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 107798325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).