2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide

C14H20BrN5O — CID 19538290

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide
SMILESCCn1ncc(NC(=O)C(C)n2nc(C)c(Br)c2C)c1C
InChIInChI=1S/C14H20BrN5O/c1-6-19-9(3)12(7-16-19)17-14(21)11(5)20-10(4)13(15)8(2)18-20/h7,11H,6H2,1-5H3,(H,17,21)
InChIKeyXCHQXURXKHMFMK-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.99
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide (PubChem CID 19538290) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide
PubChem CID19538290
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide
SMILESCCn1ncc(NC(=O)C(C)n2nc(C)c(Br)c2C)c1C
InChIInChI=1S/C14H20BrN5O/c1-6-19-9(3)12(7-16-19)17-14(21)11(5)20-10(4)13(15)8(2)18-20/h7,11H,6H2,1-5H3,(H,17,21)
InChIKeyXCHQXURXKHMFMK-UHFFFAOYSA-N
XLogP2.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19538352
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4770975
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294706
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19538045
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
CID 4769807
N-(4-aminophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130906
3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538333
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)furan-2-carboxamide
CID 19454915
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394333
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 19538376
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)-2-methylpropanamide
CID 19562300
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296892

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide (CID 19538290) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide is CCn1ncc(NC(=O)C(C)n2nc(C)c(Br)c2C)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide?
The InChIKey is XCHQXURXKHMFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-6-19-9(3)12(7-16-19)17-14(21)11(5)20-10(4)13(15)8(2)18-20/h7,11H,6H2,1-5H3,(H,17,21).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide has a molecular weight of 354.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 19538290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).