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

C13H16BrF2N5O — CID 4770131

IUPAC2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)cc1NC(=O)C(C)n1nc(C(F)F)c(Br)c1C
InChIInChI=1S/C13H16BrF2N5O/c1-6-9(5-20(4)18-6)17-13(22)8(3)21-7(2)10(14)11(19-21)12(15)16/h5,8,12H,1-4H3,(H,17,22)
InChIKeyJNLKUILYMSKHNU-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.13
Rot. Bonds4

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

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide (PubChem CID 4770131) has the molecular formula C13H16BrF2N5O and a molecular weight of 376.21 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide
PubChem CID4770131
Molecular FormulaC13H16BrF2N5O
Molecular Weight376.21 g/mol
Exact Mass375.05
IUPAC Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)cc1NC(=O)C(C)n1nc(C(F)F)c(Br)c1C
InChIInChI=1S/C13H16BrF2N5O/c1-6-9(5-20(4)18-6)17-13(22)8(3)21-7(2)10(14)11(19-21)12(15)16/h5,8,12H,1-4H3,(H,17,22)
InChIKeyJNLKUILYMSKHNU-UHFFFAOYSA-N
XLogP3.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4770341
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4866946
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]propanamide
CID 17020970
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 51390078
N-[5-(aminocarbonyl)-1-methyl-1H-pyrazol-4-yl]-4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768107
4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4770013
4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4770919
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 4771577
4-({[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4772969
4-bromo-N-(5-carbamoyl-1-ethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4773013
2-(4-Bromo-3-methyl-1H-pyrazol-1-YL)-N~1~-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-YL]propanamide
CID 19575978
4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 4771766

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide (CID 4770131) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide is Cc1nn(C)cc1NC(=O)C(C)n1nc(C(F)F)c(Br)c1C.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide?
The InChIKey is JNLKUILYMSKHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N5O/c1-6-9(5-20(4)18-6)17-13(22)8(3)21-7(2)10(14)11(19-21)12(15)16/h5,8,12H,1-4H3,(H,17,22).
What are the key properties of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide?
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide has a molecular weight of 376.21 g/mol, XLogP of 3.13, 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-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 4770131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).