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

C15H20BrF2N5O — CID 4769807

IUPAC2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
SMILESCCn1nc(C)c(NC(=O)C(C)n2nc(C(F)F)c(Br)c2C)c1C
InChIInChI=1S/C15H20BrF2N5O/c1-6-22-9(4)12(7(2)20-22)19-15(24)10(5)23-8(3)11(16)13(21-23)14(17)18/h10,14H,6H2,1-5H3,(H,19,24)
InChIKeyWWBYNMNPONZKBT-UHFFFAOYSA-N
MW404.26 g/mol
LogP3.92
Rot. Bonds5

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

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide (PubChem CID 4769807) has the molecular formula C15H20BrF2N5O and a molecular weight of 404.26 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
PubChem CID4769807
Molecular FormulaC15H20BrF2N5O
Molecular Weight404.26 g/mol
Exact Mass403.08
IUPAC Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
SMILESCCn1nc(C)c(NC(=O)C(C)n2nc(C(F)F)c(Br)c2C)c1C
InChIInChI=1S/C15H20BrF2N5O/c1-6-22-9(4)12(7(2)20-22)19-15(24)10(5)23-8(3)11(16)13(21-23)14(17)18/h10,14H,6H2,1-5H3,(H,19,24)
InChIKeyWWBYNMNPONZKBT-UHFFFAOYSA-N
XLogP3.92
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide
CID 19538290
(2S)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide
CID 51390572
(2S)-2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51390032
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide
CID 51390270
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19535789
(2S)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 51390348
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]propan-1-one
CID 51390058
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294706
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
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide
CID 19535723
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-one
CID 112574212
4-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19538352

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide (CID 4769807) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide is CCn1nc(C)c(NC(=O)C(C)n2nc(C(F)F)c(Br)c2C)c1C.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide?
The InChIKey is WWBYNMNPONZKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N5O/c1-6-22-9(4)12(7(2)20-22)19-15(24)10(5)23-8(3)11(16)13(21-23)14(17)18/h10,14H,6H2,1-5H3,(H,19,24).
What are the key properties of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide?
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide has a molecular weight of 404.26 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 4769807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).